Add files using upload-large-folder tool
Browse files- structures/1x9c.cif +0 -0
- structures/255d.cif +1522 -0
- structures/2nvq.cif +0 -0
- structures/2ppb.cif +0 -0
- structures/2rkj.cif +0 -0
- structures/2zh9.cif +0 -0
- structures/3cw1.cif +0 -0
- structures/3czw.cif +1788 -0
- structures/3hhn.cif +0 -0
- structures/3hjf.cif +0 -0
- structures/3nj6.cif +0 -0
- structures/3ol6.cif +0 -0
- structures/469d.cif +0 -0
- structures/486d.cif +0 -0
- structures/4ds6.cif +0 -0
- structures/4f02.cif +0 -0
- structures/4feo.cif +0 -0
- structures/4ioc.cif +0 -0
- structures/4nha.cif +0 -0
- structures/4v4g.cif +0 -0
- structures/5e08.cif +0 -0
- structures/5l4o.cif +0 -0
- structures/5tdj.cif +0 -0
- structures/5wt3.cif +0 -0
- structures/5zkj.cif +0 -0
- structures/6aas.cif +0 -0
- structures/6kuj.cif +0 -0
- structures/6uq0.cif +0 -0
- structures/6wdr.cif +0 -0
- structures/7d7x.cif +0 -0
- structures/7jnh.cif +0 -0
- structures/7kjw.cif +0 -0
- structures/7mei.cif +0 -0
- structures/7os0.cif +0 -0
- structures/7s7b.cif +0 -0
- structures/7t3l.cif +0 -0
- structures/7tj2.cif +0 -0
- structures/7xsk.cif +0 -0
- structures/8abz.cif +0 -0
- structures/8eyt.cif +0 -0
- structures/8gap.cif +0 -0
- structures/8i45.cif +0 -0
- structures/8p4a.cif +0 -0
- structures/8rum.cif +0 -0
- structures/8w35.cif +0 -0
- structures/8y06.cif +0 -0
- structures/8yih.cif +0 -0
- structures/9bct.cif +0 -0
- structures/9cet.cif +0 -0
- structures/9dn4.cif +0 -0
structures/1x9c.cif
ADDED
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structures/255d.cif
ADDED
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|
| 1 |
+
data_255D
|
| 2 |
+
#
|
| 3 |
+
_entry.id 255D
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.387
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 255D pdb_0000255d 10.2210/pdb255d/pdb
|
| 15 |
+
RCSB ARL037 ? ?
|
| 16 |
+
WWPDB D_1000177662 ? ?
|
| 17 |
+
#
|
| 18 |
+
loop_
|
| 19 |
+
_pdbx_audit_revision_history.ordinal
|
| 20 |
+
_pdbx_audit_revision_history.data_content_type
|
| 21 |
+
_pdbx_audit_revision_history.major_revision
|
| 22 |
+
_pdbx_audit_revision_history.minor_revision
|
| 23 |
+
_pdbx_audit_revision_history.revision_date
|
| 24 |
+
1 'Structure model' 1 0 1995-02-07
|
| 25 |
+
2 'Structure model' 1 1 2008-05-22
|
| 26 |
+
3 'Structure model' 1 2 2011-07-13
|
| 27 |
+
4 'Structure model' 1 3 2024-02-14
|
| 28 |
+
#
|
| 29 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 30 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 31 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 32 |
+
_pdbx_audit_revision_details.provider repository
|
| 33 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 34 |
+
_pdbx_audit_revision_details.description ?
|
| 35 |
+
_pdbx_audit_revision_details.details ?
|
| 36 |
+
#
|
| 37 |
+
loop_
|
| 38 |
+
_pdbx_audit_revision_group.ordinal
|
| 39 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 40 |
+
_pdbx_audit_revision_group.data_content_type
|
| 41 |
+
_pdbx_audit_revision_group.group
|
| 42 |
+
1 2 'Structure model' 'Version format compliance'
|
| 43 |
+
2 3 'Structure model' 'Version format compliance'
|
| 44 |
+
3 4 'Structure model' 'Data collection'
|
| 45 |
+
4 4 'Structure model' 'Database references'
|
| 46 |
+
#
|
| 47 |
+
loop_
|
| 48 |
+
_pdbx_audit_revision_category.ordinal
|
| 49 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 50 |
+
_pdbx_audit_revision_category.data_content_type
|
| 51 |
+
_pdbx_audit_revision_category.category
|
| 52 |
+
1 4 'Structure model' chem_comp_atom
|
| 53 |
+
2 4 'Structure model' chem_comp_bond
|
| 54 |
+
3 4 'Structure model' database_2
|
| 55 |
+
#
|
| 56 |
+
loop_
|
| 57 |
+
_pdbx_audit_revision_item.ordinal
|
| 58 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 59 |
+
_pdbx_audit_revision_item.data_content_type
|
| 60 |
+
_pdbx_audit_revision_item.item
|
| 61 |
+
1 4 'Structure model' '_database_2.pdbx_DOI'
|
| 62 |
+
2 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 63 |
+
#
|
| 64 |
+
_pdbx_database_status.status_code REL
|
| 65 |
+
_pdbx_database_status.entry_id 255D
|
| 66 |
+
_pdbx_database_status.recvd_initial_deposition_date 1993-12-21
|
| 67 |
+
_pdbx_database_status.deposit_site BNL
|
| 68 |
+
_pdbx_database_status.process_site NDB
|
| 69 |
+
_pdbx_database_status.SG_entry .
|
| 70 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 71 |
+
_pdbx_database_status.status_code_mr ?
|
| 72 |
+
_pdbx_database_status.status_code_sf ?
|
| 73 |
+
_pdbx_database_status.status_code_cs ?
|
| 74 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 75 |
+
_pdbx_database_status.methods_development_category ?
|
| 76 |
+
#
|
| 77 |
+
loop_
|
| 78 |
+
_audit_author.name
|
| 79 |
+
_audit_author.pdbx_ordinal
|
| 80 |
+
'Holbrook, S.R.' 1
|
| 81 |
+
'Cheong, C.' 2
|
| 82 |
+
'Tinoco Jr, I.' 3
|
| 83 |
+
'Kim, S.-H.' 4
|
| 84 |
+
#
|
| 85 |
+
_citation.id primary
|
| 86 |
+
_citation.title
|
| 87 |
+
'Crystal structure of an RNA double helix incorporating a track of non-Watson-Crick base pairs.'
|
| 88 |
+
_citation.journal_abbrev Nature
|
| 89 |
+
_citation.journal_volume 353
|
| 90 |
+
_citation.page_first 579
|
| 91 |
+
_citation.page_last 581
|
| 92 |
+
_citation.year 1991
|
| 93 |
+
_citation.journal_id_ASTM NATUAS
|
| 94 |
+
_citation.country UK
|
| 95 |
+
_citation.journal_id_ISSN 0028-0836
|
| 96 |
+
_citation.journal_id_CSD 0006
|
| 97 |
+
_citation.book_publisher ?
|
| 98 |
+
_citation.pdbx_database_id_PubMed 1922368
|
| 99 |
+
_citation.pdbx_database_id_DOI 10.1038/353579a0
|
| 100 |
+
#
|
| 101 |
+
loop_
|
| 102 |
+
_citation_author.citation_id
|
| 103 |
+
_citation_author.name
|
| 104 |
+
_citation_author.ordinal
|
| 105 |
+
_citation_author.identifier_ORCID
|
| 106 |
+
primary 'Holbrook, S.R.' 1 ?
|
| 107 |
+
primary 'Cheong, C.' 2 ?
|
| 108 |
+
primary 'Tinoco Jr., I.' 3 ?
|
| 109 |
+
primary 'Kim, S.H.' 4 ?
|
| 110 |
+
#
|
| 111 |
+
loop_
|
| 112 |
+
_entity.id
|
| 113 |
+
_entity.type
|
| 114 |
+
_entity.src_method
|
| 115 |
+
_entity.pdbx_description
|
| 116 |
+
_entity.formula_weight
|
| 117 |
+
_entity.pdbx_number_of_molecules
|
| 118 |
+
_entity.pdbx_ec
|
| 119 |
+
_entity.pdbx_mutation
|
| 120 |
+
_entity.pdbx_fragment
|
| 121 |
+
_entity.details
|
| 122 |
+
1 polymer syn
|
| 123 |
+
;RNA (5'-R(*GP*GP*AP*CP*UP*UP*CP*GP*GP*UP*CP*C)-3')
|
| 124 |
+
;
|
| 125 |
+
3804.296 1 ? ? ? ?
|
| 126 |
+
2 water nat water 18.015 47 ? ? ? ?
|
| 127 |
+
#
|
| 128 |
+
_entity_poly.entity_id 1
|
| 129 |
+
_entity_poly.type polyribonucleotide
|
| 130 |
+
_entity_poly.nstd_linkage no
|
| 131 |
+
_entity_poly.nstd_monomer no
|
| 132 |
+
_entity_poly.pdbx_seq_one_letter_code GGACUUCGGUCC
|
| 133 |
+
_entity_poly.pdbx_seq_one_letter_code_can GGACUUCGGUCC
|
| 134 |
+
_entity_poly.pdbx_strand_id A
|
| 135 |
+
_entity_poly.pdbx_target_identifier ?
|
| 136 |
+
#
|
| 137 |
+
_pdbx_entity_nonpoly.entity_id 2
|
| 138 |
+
_pdbx_entity_nonpoly.name water
|
| 139 |
+
_pdbx_entity_nonpoly.comp_id HOH
|
| 140 |
+
#
|
| 141 |
+
loop_
|
| 142 |
+
_entity_poly_seq.entity_id
|
| 143 |
+
_entity_poly_seq.num
|
| 144 |
+
_entity_poly_seq.mon_id
|
| 145 |
+
_entity_poly_seq.hetero
|
| 146 |
+
1 1 G n
|
| 147 |
+
1 2 G n
|
| 148 |
+
1 3 A n
|
| 149 |
+
1 4 C n
|
| 150 |
+
1 5 U n
|
| 151 |
+
1 6 U n
|
| 152 |
+
1 7 C n
|
| 153 |
+
1 8 G n
|
| 154 |
+
1 9 G n
|
| 155 |
+
1 10 U n
|
| 156 |
+
1 11 C n
|
| 157 |
+
1 12 C n
|
| 158 |
+
#
|
| 159 |
+
loop_
|
| 160 |
+
_chem_comp.id
|
| 161 |
+
_chem_comp.type
|
| 162 |
+
_chem_comp.mon_nstd_flag
|
| 163 |
+
_chem_comp.name
|
| 164 |
+
_chem_comp.pdbx_synonyms
|
| 165 |
+
_chem_comp.formula
|
| 166 |
+
_chem_comp.formula_weight
|
| 167 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 168 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 169 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 170 |
+
HOH non-polymer . WATER ? 'H2 O' 18.015
|
| 171 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 172 |
+
#
|
| 173 |
+
loop_
|
| 174 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 175 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 176 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 177 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 178 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 179 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 180 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 181 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 182 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 183 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 184 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 185 |
+
_pdbx_poly_seq_scheme.hetero
|
| 186 |
+
A 1 1 G 1 1 1 G G A . n
|
| 187 |
+
A 1 2 G 2 2 2 G G A . n
|
| 188 |
+
A 1 3 A 3 3 3 A A A . n
|
| 189 |
+
A 1 4 C 4 4 4 C C A . n
|
| 190 |
+
A 1 5 U 5 5 5 U U A . n
|
| 191 |
+
A 1 6 U 6 6 6 U U A . n
|
| 192 |
+
A 1 7 C 7 7 7 C C A . n
|
| 193 |
+
A 1 8 G 8 8 8 G G A . n
|
| 194 |
+
A 1 9 G 9 9 9 G G A . n
|
| 195 |
+
A 1 10 U 10 10 10 U U A . n
|
| 196 |
+
A 1 11 C 11 11 11 C C A . n
|
| 197 |
+
A 1 12 C 12 12 12 C C A . n
|
| 198 |
+
#
|
| 199 |
+
loop_
|
| 200 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 201 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 202 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 203 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 204 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 205 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 206 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 207 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 208 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 209 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 210 |
+
B 2 HOH 1 13 13 HOH HOH A .
|
| 211 |
+
B 2 HOH 2 14 14 HOH HOH A .
|
| 212 |
+
B 2 HOH 3 15 15 HOH HOH A .
|
| 213 |
+
B 2 HOH 4 16 16 HOH HOH A .
|
| 214 |
+
B 2 HOH 5 17 17 HOH HOH A .
|
| 215 |
+
B 2 HOH 6 18 18 HOH HOH A .
|
| 216 |
+
B 2 HOH 7 19 19 HOH HOH A .
|
| 217 |
+
B 2 HOH 8 20 20 HOH HOH A .
|
| 218 |
+
B 2 HOH 9 21 21 HOH HOH A .
|
| 219 |
+
B 2 HOH 10 22 22 HOH HOH A .
|
| 220 |
+
B 2 HOH 11 23 23 HOH HOH A .
|
| 221 |
+
B 2 HOH 12 24 24 HOH HOH A .
|
| 222 |
+
B 2 HOH 13 25 25 HOH HOH A .
|
| 223 |
+
B 2 HOH 14 26 26 HOH HOH A .
|
| 224 |
+
B 2 HOH 15 27 27 HOH HOH A .
|
| 225 |
+
B 2 HOH 16 28 28 HOH HOH A .
|
| 226 |
+
B 2 HOH 17 29 29 HOH HOH A .
|
| 227 |
+
B 2 HOH 18 30 30 HOH HOH A .
|
| 228 |
+
B 2 HOH 19 31 31 HOH HOH A .
|
| 229 |
+
B 2 HOH 20 32 32 HOH HOH A .
|
| 230 |
+
B 2 HOH 21 33 33 HOH HOH A .
|
| 231 |
+
B 2 HOH 22 34 34 HOH HOH A .
|
| 232 |
+
B 2 HOH 23 35 35 HOH HOH A .
|
| 233 |
+
B 2 HOH 24 36 36 HOH HOH A .
|
| 234 |
+
B 2 HOH 25 37 37 HOH HOH A .
|
| 235 |
+
B 2 HOH 26 38 38 HOH HOH A .
|
| 236 |
+
B 2 HOH 27 39 39 HOH HOH A .
|
| 237 |
+
B 2 HOH 28 40 40 HOH HOH A .
|
| 238 |
+
B 2 HOH 29 41 41 HOH HOH A .
|
| 239 |
+
B 2 HOH 30 42 42 HOH HOH A .
|
| 240 |
+
B 2 HOH 31 43 43 HOH HOH A .
|
| 241 |
+
B 2 HOH 32 44 44 HOH HOH A .
|
| 242 |
+
B 2 HOH 33 45 45 HOH HOH A .
|
| 243 |
+
B 2 HOH 34 46 46 HOH HOH A .
|
| 244 |
+
B 2 HOH 35 47 47 HOH HOH A .
|
| 245 |
+
B 2 HOH 36 48 48 HOH HOH A .
|
| 246 |
+
B 2 HOH 37 49 49 HOH HOH A .
|
| 247 |
+
B 2 HOH 38 50 50 HOH HOH A .
|
| 248 |
+
B 2 HOH 39 51 51 HOH HOH A .
|
| 249 |
+
B 2 HOH 40 52 52 HOH HOH A .
|
| 250 |
+
B 2 HOH 41 53 53 HOH HOH A .
|
| 251 |
+
B 2 HOH 42 54 54 HOH HOH A .
|
| 252 |
+
B 2 HOH 43 55 55 HOH HOH A .
|
| 253 |
+
B 2 HOH 44 56 56 HOH HOH A .
|
| 254 |
+
B 2 HOH 45 57 57 HOH HOH A .
|
| 255 |
+
B 2 HOH 46 58 58 HOH HOH A .
|
| 256 |
+
B 2 HOH 47 59 59 HOH HOH A .
|
| 257 |
+
#
|
| 258 |
+
_software.name NUCLSQ
|
| 259 |
+
_software.classification refinement
|
| 260 |
+
_software.version .
|
| 261 |
+
_software.citation_id ?
|
| 262 |
+
_software.pdbx_ordinal 1
|
| 263 |
+
#
|
| 264 |
+
_cell.entry_id 255D
|
| 265 |
+
_cell.length_a 38.280
|
| 266 |
+
_cell.length_b 32.280
|
| 267 |
+
_cell.length_c 36.380
|
| 268 |
+
_cell.angle_alpha 90.00
|
| 269 |
+
_cell.angle_beta 124.80
|
| 270 |
+
_cell.angle_gamma 90.00
|
| 271 |
+
_cell.Z_PDB 4
|
| 272 |
+
_cell.pdbx_unique_axis ?
|
| 273 |
+
#
|
| 274 |
+
_symmetry.entry_id 255D
|
| 275 |
+
_symmetry.space_group_name_H-M 'C 1 2 1'
|
| 276 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 277 |
+
_symmetry.cell_setting ?
|
| 278 |
+
_symmetry.Int_Tables_number 5
|
| 279 |
+
#
|
| 280 |
+
_exptl.entry_id 255D
|
| 281 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 282 |
+
_exptl.crystals_number ?
|
| 283 |
+
#
|
| 284 |
+
_exptl_crystal.id 1
|
| 285 |
+
_exptl_crystal.density_meas ?
|
| 286 |
+
_exptl_crystal.density_Matthews 2.43
|
| 287 |
+
_exptl_crystal.density_percent_sol 49.30
|
| 288 |
+
_exptl_crystal.description ?
|
| 289 |
+
#
|
| 290 |
+
_exptl_crystal_grow.crystal_id 1
|
| 291 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION'
|
| 292 |
+
_exptl_crystal_grow.temp ?
|
| 293 |
+
_exptl_crystal_grow.temp_details ?
|
| 294 |
+
_exptl_crystal_grow.pH 8.50
|
| 295 |
+
_exptl_crystal_grow.pdbx_details 'pH 8.50, VAPOR DIFFUSION'
|
| 296 |
+
_exptl_crystal_grow.pdbx_pH_range ?
|
| 297 |
+
#
|
| 298 |
+
loop_
|
| 299 |
+
_exptl_crystal_grow_comp.crystal_id
|
| 300 |
+
_exptl_crystal_grow_comp.id
|
| 301 |
+
_exptl_crystal_grow_comp.sol_id
|
| 302 |
+
_exptl_crystal_grow_comp.name
|
| 303 |
+
_exptl_crystal_grow_comp.volume
|
| 304 |
+
_exptl_crystal_grow_comp.conc
|
| 305 |
+
_exptl_crystal_grow_comp.details
|
| 306 |
+
1 1 1 WATER ? ? ?
|
| 307 |
+
1 2 1 'PEG 400' ? ? ?
|
| 308 |
+
1 3 1 'NA CITRATE' ? ? ?
|
| 309 |
+
1 4 1 MGCL2 ? ? ?
|
| 310 |
+
1 5 1 BIS-TRIS-PROPANE ? ? ?
|
| 311 |
+
1 6 2 WATER ? ? ?
|
| 312 |
+
1 7 2 'PEG 400' ? ? ?
|
| 313 |
+
1 8 2 'NA CITRATE' ? ? ?
|
| 314 |
+
1 9 2 MGCL2 ? ? ?
|
| 315 |
+
1 10 2 BIS-TRIS-PROPANE ? ? ?
|
| 316 |
+
#
|
| 317 |
+
_diffrn.id 1
|
| 318 |
+
_diffrn.ambient_temp ?
|
| 319 |
+
_diffrn.ambient_temp_details 'ROOM TEMPERATURE'
|
| 320 |
+
_diffrn.crystal_id 1
|
| 321 |
+
#
|
| 322 |
+
_diffrn_detector.diffrn_id 1
|
| 323 |
+
_diffrn_detector.detector DIFFRACTOMETER
|
| 324 |
+
_diffrn_detector.type 'RIGAKU AFC-5'
|
| 325 |
+
_diffrn_detector.pdbx_collection_date ?
|
| 326 |
+
_diffrn_detector.details ?
|
| 327 |
+
#
|
| 328 |
+
_diffrn_radiation.diffrn_id 1
|
| 329 |
+
_diffrn_radiation.wavelength_id 1
|
| 330 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l ?
|
| 331 |
+
_diffrn_radiation.monochromator ?
|
| 332 |
+
_diffrn_radiation.pdbx_diffrn_protocol ?
|
| 333 |
+
_diffrn_radiation.pdbx_scattering_type x-ray
|
| 334 |
+
#
|
| 335 |
+
_diffrn_radiation_wavelength.id 1
|
| 336 |
+
_diffrn_radiation_wavelength.wavelength .
|
| 337 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 338 |
+
#
|
| 339 |
+
_diffrn_source.diffrn_id 1
|
| 340 |
+
_diffrn_source.source 'ROTATING ANODE'
|
| 341 |
+
_diffrn_source.type ?
|
| 342 |
+
_diffrn_source.pdbx_synchrotron_site ?
|
| 343 |
+
_diffrn_source.pdbx_synchrotron_beamline ?
|
| 344 |
+
_diffrn_source.pdbx_wavelength ?
|
| 345 |
+
_diffrn_source.pdbx_wavelength_list ?
|
| 346 |
+
#
|
| 347 |
+
_reflns.entry_id 255D
|
| 348 |
+
_reflns.observed_criterion_sigma_I ?
|
| 349 |
+
_reflns.observed_criterion_sigma_F ?
|
| 350 |
+
_reflns.d_resolution_low ?
|
| 351 |
+
_reflns.d_resolution_high 2.000
|
| 352 |
+
_reflns.number_obs 2280
|
| 353 |
+
_reflns.number_all ?
|
| 354 |
+
_reflns.percent_possible_obs ?
|
| 355 |
+
_reflns.pdbx_Rmerge_I_obs ?
|
| 356 |
+
_reflns.pdbx_Rsym_value ?
|
| 357 |
+
_reflns.pdbx_netI_over_sigmaI ?
|
| 358 |
+
_reflns.B_iso_Wilson_estimate ?
|
| 359 |
+
_reflns.pdbx_redundancy ?
|
| 360 |
+
_reflns.pdbx_diffrn_id 1
|
| 361 |
+
_reflns.pdbx_ordinal 1
|
| 362 |
+
#
|
| 363 |
+
_refine.entry_id 255D
|
| 364 |
+
_refine.ls_number_reflns_obs 2082
|
| 365 |
+
_refine.ls_number_reflns_all ?
|
| 366 |
+
_refine.pdbx_ls_sigma_I ?
|
| 367 |
+
_refine.pdbx_ls_sigma_F 1.000
|
| 368 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 369 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 370 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 371 |
+
_refine.ls_d_res_low 8.000
|
| 372 |
+
_refine.ls_d_res_high 2.000
|
| 373 |
+
_refine.ls_percent_reflns_obs 83.900
|
| 374 |
+
_refine.ls_R_factor_obs 0.1640000
|
| 375 |
+
_refine.ls_R_factor_all ?
|
| 376 |
+
_refine.ls_R_factor_R_work ?
|
| 377 |
+
_refine.ls_R_factor_R_free ?
|
| 378 |
+
_refine.ls_R_factor_R_free_error ?
|
| 379 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 380 |
+
_refine.ls_percent_reflns_R_free ?
|
| 381 |
+
_refine.ls_number_reflns_R_free ?
|
| 382 |
+
_refine.ls_number_parameters ?
|
| 383 |
+
_refine.ls_number_restraints ?
|
| 384 |
+
_refine.occupancy_min ?
|
| 385 |
+
_refine.occupancy_max ?
|
| 386 |
+
_refine.B_iso_mean ?
|
| 387 |
+
_refine.aniso_B[1][1] ?
|
| 388 |
+
_refine.aniso_B[2][2] ?
|
| 389 |
+
_refine.aniso_B[3][3] ?
|
| 390 |
+
_refine.aniso_B[1][2] ?
|
| 391 |
+
_refine.aniso_B[1][3] ?
|
| 392 |
+
_refine.aniso_B[2][3] ?
|
| 393 |
+
_refine.solvent_model_details ?
|
| 394 |
+
_refine.solvent_model_param_ksol ?
|
| 395 |
+
_refine.solvent_model_param_bsol ?
|
| 396 |
+
_refine.pdbx_ls_cross_valid_method ?
|
| 397 |
+
_refine.details ?
|
| 398 |
+
_refine.pdbx_starting_model ?
|
| 399 |
+
_refine.pdbx_method_to_determine_struct ?
|
| 400 |
+
_refine.pdbx_isotropic_thermal_model ?
|
| 401 |
+
_refine.pdbx_stereochemistry_target_values ?
|
| 402 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 403 |
+
_refine.pdbx_R_Free_selection_details ?
|
| 404 |
+
_refine.pdbx_overall_ESU_R ?
|
| 405 |
+
_refine.pdbx_overall_ESU_R_Free ?
|
| 406 |
+
_refine.overall_SU_ML ?
|
| 407 |
+
_refine.overall_SU_B ?
|
| 408 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 409 |
+
_refine.pdbx_diffrn_id 1
|
| 410 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 411 |
+
_refine.correlation_coeff_Fo_to_Fc ?
|
| 412 |
+
_refine.correlation_coeff_Fo_to_Fc_free ?
|
| 413 |
+
_refine.pdbx_solvent_vdw_probe_radii ?
|
| 414 |
+
_refine.pdbx_solvent_ion_probe_radii ?
|
| 415 |
+
_refine.pdbx_solvent_shrinkage_radii ?
|
| 416 |
+
_refine.pdbx_overall_phase_error ?
|
| 417 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 418 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 419 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 420 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 421 |
+
#
|
| 422 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 423 |
+
_refine_hist.cycle_id LAST
|
| 424 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 425 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 255
|
| 426 |
+
_refine_hist.pdbx_number_atoms_ligand 0
|
| 427 |
+
_refine_hist.number_atoms_solvent 47
|
| 428 |
+
_refine_hist.number_atoms_total 302
|
| 429 |
+
_refine_hist.d_res_high 2.000
|
| 430 |
+
_refine_hist.d_res_low 8.000
|
| 431 |
+
#
|
| 432 |
+
_database_PDB_matrix.entry_id 255D
|
| 433 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 434 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 435 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 436 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 437 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 438 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 439 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 440 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 441 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 442 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 443 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 444 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 445 |
+
#
|
| 446 |
+
_struct.entry_id 255D
|
| 447 |
+
_struct.title 'CRYSTAL STRUCTURE OF AN RNA DOUBLE HELIX INCORPORATING A TRACK OF NON-WATSON-CRICK BASE PAIRS'
|
| 448 |
+
_struct.pdbx_model_details ?
|
| 449 |
+
_struct.pdbx_CASP_flag ?
|
| 450 |
+
_struct.pdbx_model_type_details ?
|
| 451 |
+
#
|
| 452 |
+
_struct_keywords.entry_id 255D
|
| 453 |
+
_struct_keywords.pdbx_keywords RNA
|
| 454 |
+
_struct_keywords.text 'A-RNA, DOUBLE HELIX, MISMATCHED, RNA'
|
| 455 |
+
#
|
| 456 |
+
loop_
|
| 457 |
+
_struct_asym.id
|
| 458 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 459 |
+
_struct_asym.pdbx_modified
|
| 460 |
+
_struct_asym.entity_id
|
| 461 |
+
_struct_asym.details
|
| 462 |
+
A N N 1 ?
|
| 463 |
+
B N N 2 ?
|
| 464 |
+
#
|
| 465 |
+
_struct_ref.id 1
|
| 466 |
+
_struct_ref.entity_id 1
|
| 467 |
+
_struct_ref.db_name PDB
|
| 468 |
+
_struct_ref.db_code 255D
|
| 469 |
+
_struct_ref.pdbx_db_accession 255D
|
| 470 |
+
_struct_ref.pdbx_db_isoform ?
|
| 471 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 472 |
+
_struct_ref.pdbx_align_begin ?
|
| 473 |
+
#
|
| 474 |
+
_struct_ref_seq.align_id 1
|
| 475 |
+
_struct_ref_seq.ref_id 1
|
| 476 |
+
_struct_ref_seq.pdbx_PDB_id_code 255D
|
| 477 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 478 |
+
_struct_ref_seq.seq_align_beg 1
|
| 479 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 480 |
+
_struct_ref_seq.seq_align_end 12
|
| 481 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 482 |
+
_struct_ref_seq.pdbx_db_accession 255D
|
| 483 |
+
_struct_ref_seq.db_align_beg 1
|
| 484 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 485 |
+
_struct_ref_seq.db_align_end 12
|
| 486 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 487 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 488 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 12
|
| 489 |
+
#
|
| 490 |
+
_pdbx_struct_assembly.id 1
|
| 491 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 492 |
+
_pdbx_struct_assembly.method_details ?
|
| 493 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 494 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 495 |
+
#
|
| 496 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 497 |
+
_pdbx_struct_assembly_gen.oper_expression 1,2
|
| 498 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B
|
| 499 |
+
#
|
| 500 |
+
loop_
|
| 501 |
+
_pdbx_struct_oper_list.id
|
| 502 |
+
_pdbx_struct_oper_list.type
|
| 503 |
+
_pdbx_struct_oper_list.name
|
| 504 |
+
_pdbx_struct_oper_list.symmetry_operation
|
| 505 |
+
_pdbx_struct_oper_list.matrix[1][1]
|
| 506 |
+
_pdbx_struct_oper_list.matrix[1][2]
|
| 507 |
+
_pdbx_struct_oper_list.matrix[1][3]
|
| 508 |
+
_pdbx_struct_oper_list.vector[1]
|
| 509 |
+
_pdbx_struct_oper_list.matrix[2][1]
|
| 510 |
+
_pdbx_struct_oper_list.matrix[2][2]
|
| 511 |
+
_pdbx_struct_oper_list.matrix[2][3]
|
| 512 |
+
_pdbx_struct_oper_list.vector[2]
|
| 513 |
+
_pdbx_struct_oper_list.matrix[3][1]
|
| 514 |
+
_pdbx_struct_oper_list.matrix[3][2]
|
| 515 |
+
_pdbx_struct_oper_list.matrix[3][3]
|
| 516 |
+
_pdbx_struct_oper_list.vector[3]
|
| 517 |
+
1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
|
| 518 |
+
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
|
| 519 |
+
2 'crystal symmetry operation' 2_656 -x+1,y,-z+1 -1.0000000000 0.0000000000 0.0000000000 17.5174404076 0.0000000000 1.0000000000
|
| 520 |
+
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 29.8734082283
|
| 521 |
+
#
|
| 522 |
+
_struct_biol.id 1
|
| 523 |
+
#
|
| 524 |
+
loop_
|
| 525 |
+
_struct_conn.id
|
| 526 |
+
_struct_conn.conn_type_id
|
| 527 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 528 |
+
_struct_conn.pdbx_PDB_id
|
| 529 |
+
_struct_conn.ptnr1_label_asym_id
|
| 530 |
+
_struct_conn.ptnr1_label_comp_id
|
| 531 |
+
_struct_conn.ptnr1_label_seq_id
|
| 532 |
+
_struct_conn.ptnr1_label_atom_id
|
| 533 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 534 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 535 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 536 |
+
_struct_conn.ptnr1_symmetry
|
| 537 |
+
_struct_conn.ptnr2_label_asym_id
|
| 538 |
+
_struct_conn.ptnr2_label_comp_id
|
| 539 |
+
_struct_conn.ptnr2_label_seq_id
|
| 540 |
+
_struct_conn.ptnr2_label_atom_id
|
| 541 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 542 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 543 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 544 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 545 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 546 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 547 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 548 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 549 |
+
_struct_conn.ptnr2_symmetry
|
| 550 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 551 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 552 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 553 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 554 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 555 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 556 |
+
_struct_conn.details
|
| 557 |
+
_struct_conn.pdbx_dist_value
|
| 558 |
+
_struct_conn.pdbx_value_order
|
| 559 |
+
_struct_conn.pdbx_role
|
| 560 |
+
hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 12 N3 ? ? A G 1 A C 12 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 561 |
+
hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 12 O2 ? ? A G 1 A C 12 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 562 |
+
hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 12 N4 ? ? A G 1 A C 12 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 563 |
+
hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 11 N3 ? ? A G 2 A C 11 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 564 |
+
hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 11 O2 ? ? A G 2 A C 11 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 565 |
+
hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 11 N4 ? ? A G 2 A C 11 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 566 |
+
hydrog7 hydrog ? ? A A 3 N1 ? ? ? 1_555 A U 10 N3 ? ? A A 3 A U 10 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 567 |
+
hydrog8 hydrog ? ? A A 3 N6 ? ? ? 1_555 A U 10 O4 ? ? A A 3 A U 10 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 568 |
+
hydrog9 hydrog ? ? A C 4 N3 ? ? ? 1_555 A G 9 N1 ? ? A C 4 A G 9 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 569 |
+
hydrog10 hydrog ? ? A C 4 N4 ? ? ? 1_555 A G 9 O6 ? ? A C 4 A G 9 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 570 |
+
hydrog11 hydrog ? ? A C 4 O2 ? ? ? 1_555 A G 9 N2 ? ? A C 4 A G 9 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 571 |
+
hydrog12 hydrog ? ? A U 5 N3 ? ? ? 1_555 A G 8 O6 ? ? A U 5 A G 8 2_656 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 572 |
+
hydrog13 hydrog ? ? A U 5 O2 ? ? ? 1_555 A G 8 N1 ? ? A U 5 A G 8 2_656 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 573 |
+
hydrog14 hydrog ? ? A U 6 O4 ? ? ? 1_555 A C 7 N4 ? ? A U 6 A C 7 2_656 ? ? ? ? ? ? 'U-C MISPAIR' ? ? ?
|
| 574 |
+
hydrog15 hydrog ? ? A C 7 N4 ? ? ? 1_555 A U 6 O4 ? ? A C 7 A U 6 2_656 ? ? ? ? ? ? 'C-U MISPAIR' ? ? ?
|
| 575 |
+
hydrog16 hydrog ? ? A G 8 N1 ? ? ? 1_555 A U 5 O2 ? ? A G 8 A U 5 2_656 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 576 |
+
hydrog17 hydrog ? ? A G 8 O6 ? ? ? 1_555 A U 5 N3 ? ? A G 8 A U 5 2_656 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 577 |
+
hydrog18 hydrog ? ? A G 9 N1 ? ? ? 1_555 A C 4 N3 ? ? A G 9 A C 4 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 578 |
+
hydrog19 hydrog ? ? A G 9 N2 ? ? ? 1_555 A C 4 O2 ? ? A G 9 A C 4 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 579 |
+
hydrog20 hydrog ? ? A G 9 O6 ? ? ? 1_555 A C 4 N4 ? ? A G 9 A C 4 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 580 |
+
hydrog21 hydrog ? ? A U 10 N3 ? ? ? 1_555 A A 3 N1 ? ? A U 10 A A 3 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 581 |
+
hydrog22 hydrog ? ? A U 10 O4 ? ? ? 1_555 A A 3 N6 ? ? A U 10 A A 3 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 582 |
+
hydrog23 hydrog ? ? A C 11 N3 ? ? ? 1_555 A G 2 N1 ? ? A C 11 A G 2 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 583 |
+
hydrog24 hydrog ? ? A C 11 N4 ? ? ? 1_555 A G 2 O6 ? ? A C 11 A G 2 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 584 |
+
hydrog25 hydrog ? ? A C 11 O2 ? ? ? 1_555 A G 2 N2 ? ? A C 11 A G 2 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 585 |
+
hydrog26 hydrog ? ? A C 12 N3 ? ? ? 1_555 A G 1 N1 ? ? A C 12 A G 1 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 586 |
+
hydrog27 hydrog ? ? A C 12 N4 ? ? ? 1_555 A G 1 O6 ? ? A C 12 A G 1 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 587 |
+
hydrog28 hydrog ? ? A C 12 O2 ? ? ? 1_555 A G 1 N2 ? ? A C 12 A G 1 2_656 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 588 |
+
#
|
| 589 |
+
_struct_conn_type.id hydrog
|
| 590 |
+
_struct_conn_type.criteria ?
|
| 591 |
+
_struct_conn_type.reference ?
|
| 592 |
+
#
|
| 593 |
+
loop_
|
| 594 |
+
_pdbx_validate_close_contact.id
|
| 595 |
+
_pdbx_validate_close_contact.PDB_model_num
|
| 596 |
+
_pdbx_validate_close_contact.auth_atom_id_1
|
| 597 |
+
_pdbx_validate_close_contact.auth_asym_id_1
|
| 598 |
+
_pdbx_validate_close_contact.auth_comp_id_1
|
| 599 |
+
_pdbx_validate_close_contact.auth_seq_id_1
|
| 600 |
+
_pdbx_validate_close_contact.PDB_ins_code_1
|
| 601 |
+
_pdbx_validate_close_contact.label_alt_id_1
|
| 602 |
+
_pdbx_validate_close_contact.auth_atom_id_2
|
| 603 |
+
_pdbx_validate_close_contact.auth_asym_id_2
|
| 604 |
+
_pdbx_validate_close_contact.auth_comp_id_2
|
| 605 |
+
_pdbx_validate_close_contact.auth_seq_id_2
|
| 606 |
+
_pdbx_validate_close_contact.PDB_ins_code_2
|
| 607 |
+
_pdbx_validate_close_contact.label_alt_id_2
|
| 608 |
+
_pdbx_validate_close_contact.dist
|
| 609 |
+
1 1 N7 A G 1 ? ? O A HOH 18 ? ? 2.00
|
| 610 |
+
2 1 O A HOH 28 ? ? O A HOH 37 ? ? 2.16
|
| 611 |
+
#
|
| 612 |
+
loop_
|
| 613 |
+
_pdbx_validate_rmsd_bond.id
|
| 614 |
+
_pdbx_validate_rmsd_bond.PDB_model_num
|
| 615 |
+
_pdbx_validate_rmsd_bond.auth_atom_id_1
|
| 616 |
+
_pdbx_validate_rmsd_bond.auth_asym_id_1
|
| 617 |
+
_pdbx_validate_rmsd_bond.auth_comp_id_1
|
| 618 |
+
_pdbx_validate_rmsd_bond.auth_seq_id_1
|
| 619 |
+
_pdbx_validate_rmsd_bond.PDB_ins_code_1
|
| 620 |
+
_pdbx_validate_rmsd_bond.label_alt_id_1
|
| 621 |
+
_pdbx_validate_rmsd_bond.auth_atom_id_2
|
| 622 |
+
_pdbx_validate_rmsd_bond.auth_asym_id_2
|
| 623 |
+
_pdbx_validate_rmsd_bond.auth_comp_id_2
|
| 624 |
+
_pdbx_validate_rmsd_bond.auth_seq_id_2
|
| 625 |
+
_pdbx_validate_rmsd_bond.PDB_ins_code_2
|
| 626 |
+
_pdbx_validate_rmsd_bond.label_alt_id_2
|
| 627 |
+
_pdbx_validate_rmsd_bond.bond_value
|
| 628 |
+
_pdbx_validate_rmsd_bond.bond_target_value
|
| 629 |
+
_pdbx_validate_rmsd_bond.bond_deviation
|
| 630 |
+
_pdbx_validate_rmsd_bond.bond_standard_deviation
|
| 631 |
+
_pdbx_validate_rmsd_bond.linker_flag
|
| 632 |
+
1 1 "O3'" A G 1 ? ? P A G 2 ? ? 1.706 1.607 0.099 0.012 Y
|
| 633 |
+
2 1 P A A 3 ? ? "O5'" A A 3 ? ? 1.673 1.593 0.080 0.010 N
|
| 634 |
+
3 1 N3 A A 3 ? ? C4 A A 3 ? ? 1.300 1.344 -0.044 0.006 N
|
| 635 |
+
4 1 P A C 4 ? ? "O5'" A C 4 ? ? 1.501 1.593 -0.092 0.010 N
|
| 636 |
+
5 1 N3 A U 10 ? ? C4 A U 10 ? ? 1.324 1.380 -0.056 0.009 N
|
| 637 |
+
#
|
| 638 |
+
loop_
|
| 639 |
+
_pdbx_validate_rmsd_angle.id
|
| 640 |
+
_pdbx_validate_rmsd_angle.PDB_model_num
|
| 641 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1
|
| 642 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1
|
| 643 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1
|
| 644 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1
|
| 645 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1
|
| 646 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1
|
| 647 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2
|
| 648 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2
|
| 649 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2
|
| 650 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2
|
| 651 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2
|
| 652 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2
|
| 653 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3
|
| 654 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3
|
| 655 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3
|
| 656 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3
|
| 657 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3
|
| 658 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3
|
| 659 |
+
_pdbx_validate_rmsd_angle.angle_value
|
| 660 |
+
_pdbx_validate_rmsd_angle.angle_target_value
|
| 661 |
+
_pdbx_validate_rmsd_angle.angle_deviation
|
| 662 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation
|
| 663 |
+
_pdbx_validate_rmsd_angle.linker_flag
|
| 664 |
+
1 1 "O5'" A G 1 ? ? P A G 1 ? ? OP2 A G 1 ? ? 123.90 110.70 13.20 1.20 N
|
| 665 |
+
2 1 "O5'" A G 1 ? ? "C5'" A G 1 ? ? "C4'" A G 1 ? ? 102.45 109.40 -6.95 0.80 N
|
| 666 |
+
3 1 "O3'" A G 1 ? ? P A G 2 ? ? OP1 A G 2 ? ? 87.05 105.20 -18.15 2.20 Y
|
| 667 |
+
4 1 "O5'" A G 2 ? ? P A G 2 ? ? OP2 A G 2 ? ? 125.06 110.70 14.36 1.20 N
|
| 668 |
+
5 1 C5 A G 2 ? ? C6 A G 2 ? ? N1 A G 2 ? ? 115.38 111.50 3.88 0.50 N
|
| 669 |
+
6 1 "O3'" A G 2 ? ? P A A 3 ? ? OP2 A A 3 ? ? 122.84 110.50 12.34 1.10 Y
|
| 670 |
+
7 1 "O3'" A G 2 ? ? P A A 3 ? ? OP1 A A 3 ? ? 90.94 105.20 -14.26 2.20 Y
|
| 671 |
+
8 1 "O5'" A A 3 ? ? P A A 3 ? ? OP1 A A 3 ? ? 96.98 105.70 -8.72 0.90 N
|
| 672 |
+
9 1 "O5'" A A 3 ? ? "C5'" A A 3 ? ? "C4'" A A 3 ? ? 101.23 109.40 -8.17 0.80 N
|
| 673 |
+
10 1 C6 A A 3 ? ? N1 A A 3 ? ? C2 A A 3 ? ? 122.50 118.60 3.90 0.60 N
|
| 674 |
+
11 1 N1 A A 3 ? ? C2 A A 3 ? ? N3 A A 3 ? ? 122.74 129.30 -6.56 0.50 N
|
| 675 |
+
12 1 C2 A A 3 ? ? N3 A A 3 ? ? C4 A A 3 ? ? 115.88 110.60 5.28 0.50 N
|
| 676 |
+
13 1 C5 A A 3 ? ? C6 A A 3 ? ? N1 A A 3 ? ? 114.23 117.70 -3.47 0.50 N
|
| 677 |
+
14 1 C5 A A 3 ? ? C6 A A 3 ? ? N6 A A 3 ? ? 128.69 123.70 4.99 0.80 N
|
| 678 |
+
15 1 "O3'" A A 3 ? ? P A C 4 ? ? OP2 A C 4 ? ? 119.70 110.50 9.20 1.10 Y
|
| 679 |
+
16 1 N1 A C 4 ? ? C2 A C 4 ? ? O2 A C 4 ? ? 123.13 118.90 4.23 0.60 N
|
| 680 |
+
17 1 N3 A C 4 ? ? C4 A C 4 ? ? N4 A C 4 ? ? 113.68 118.00 -4.32 0.70 N
|
| 681 |
+
18 1 "O3'" A C 4 ? ? P A U 5 ? ? OP2 A U 5 ? ? 119.72 110.50 9.22 1.10 Y
|
| 682 |
+
19 1 N1 A U 5 ? ? C2 A U 5 ? ? N3 A U 5 ? ? 118.57 114.90 3.67 0.60 N
|
| 683 |
+
20 1 C2 A U 5 ? ? N3 A U 5 ? ? C4 A U 5 ? ? 121.13 127.00 -5.87 0.60 N
|
| 684 |
+
21 1 N3 A U 5 ? ? C4 A U 5 ? ? C5 A U 5 ? ? 118.40 114.60 3.80 0.60 N
|
| 685 |
+
22 1 N3 A U 5 ? ? C4 A U 5 ? ? O4 A U 5 ? ? 114.18 119.40 -5.22 0.70 N
|
| 686 |
+
23 1 "O3'" A U 5 ? ? P A U 6 ? ? OP2 A U 6 ? ? 119.08 110.50 8.58 1.10 Y
|
| 687 |
+
24 1 "O5'" A U 6 ? ? P A U 6 ? ? OP1 A U 6 ? ? 99.96 105.70 -5.74 0.90 N
|
| 688 |
+
25 1 P A U 6 ? ? "O5'" A U 6 ? ? "C5'" A U 6 ? ? 131.90 120.90 11.00 1.60 N
|
| 689 |
+
26 1 "O4'" A U 6 ? ? "C1'" A U 6 ? ? N1 A U 6 ? ? 112.94 108.50 4.44 0.70 N
|
| 690 |
+
27 1 N1 A U 6 ? ? C2 A U 6 ? ? N3 A U 6 ? ? 119.48 114.90 4.58 0.60 N
|
| 691 |
+
28 1 C2 A U 6 ? ? N3 A U 6 ? ? C4 A U 6 ? ? 119.71 127.00 -7.29 0.60 N
|
| 692 |
+
29 1 N3 A U 6 ? ? C4 A U 6 ? ? C5 A U 6 ? ? 119.78 114.60 5.18 0.60 N
|
| 693 |
+
30 1 C5 A U 6 ? ? C6 A U 6 ? ? N1 A U 6 ? ? 119.11 122.70 -3.59 0.50 N
|
| 694 |
+
31 1 N1 A U 6 ? ? C2 A U 6 ? ? O2 A U 6 ? ? 117.11 122.80 -5.69 0.70 N
|
| 695 |
+
32 1 "O3'" A U 6 ? ? P A C 7 ? ? OP2 A C 7 ? ? 118.77 110.50 8.27 1.10 Y
|
| 696 |
+
33 1 C6 A C 7 ? ? N1 A C 7 ? ? C2 A C 7 ? ? 123.73 120.30 3.43 0.40 N
|
| 697 |
+
34 1 C2 A C 7 ? ? N3 A C 7 ? ? C4 A C 7 ? ? 123.29 119.90 3.39 0.50 N
|
| 698 |
+
35 1 N3 A C 7 ? ? C4 A C 7 ? ? N4 A C 7 ? ? 111.86 118.00 -6.14 0.70 N
|
| 699 |
+
36 1 C5 A C 7 ? ? C4 A C 7 ? ? N4 A C 7 ? ? 127.71 120.20 7.51 0.70 N
|
| 700 |
+
37 1 "C3'" A C 7 ? ? "O3'" A C 7 ? ? P A G 8 ? ? 112.30 119.70 -7.40 1.20 Y
|
| 701 |
+
38 1 "O5'" A G 8 ? ? P A G 8 ? ? OP2 A G 8 ? ? 119.79 110.70 9.09 1.20 N
|
| 702 |
+
39 1 "O5'" A G 8 ? ? "C5'" A G 8 ? ? "C4'" A G 8 ? ? 102.41 109.40 -6.99 0.80 N
|
| 703 |
+
40 1 "C5'" A G 8 ? ? "C4'" A G 8 ? ? "C3'" A G 8 ? ? 105.56 115.20 -9.64 1.40 N
|
| 704 |
+
41 1 C6 A G 9 ? ? N1 A G 9 ? ? C2 A G 9 ? ? 121.31 125.10 -3.79 0.60 N
|
| 705 |
+
42 1 C2 A G 9 ? ? N3 A G 9 ? ? C4 A G 9 ? ? 116.37 111.90 4.47 0.50 N
|
| 706 |
+
43 1 N3 A G 9 ? ? C4 A G 9 ? ? C5 A G 9 ? ? 124.89 128.60 -3.71 0.50 N
|
| 707 |
+
44 1 C5 A G 9 ? ? C6 A G 9 ? ? N1 A G 9 ? ? 115.78 111.50 4.28 0.50 N
|
| 708 |
+
45 1 C4 A G 9 ? ? C5 A G 9 ? ? N7 A G 9 ? ? 108.18 110.80 -2.62 0.40 N
|
| 709 |
+
46 1 N1 A G 9 ? ? C6 A G 9 ? ? O6 A G 9 ? ? 114.64 119.90 -5.26 0.60 N
|
| 710 |
+
47 1 OP1 A U 10 ? ? P A U 10 ? ? OP2 A U 10 ? ? 128.64 119.60 9.04 1.50 N
|
| 711 |
+
48 1 N1 A U 10 ? ? C2 A U 10 ? ? N3 A U 10 ? ? 119.12 114.90 4.22 0.60 N
|
| 712 |
+
49 1 C2 A U 10 ? ? N3 A U 10 ? ? C4 A U 10 ? ? 118.84 127.00 -8.16 0.60 N
|
| 713 |
+
50 1 N3 A U 10 ? ? C4 A U 10 ? ? C5 A U 10 ? ? 121.92 114.60 7.32 0.60 N
|
| 714 |
+
51 1 N3 A U 10 ? ? C2 A U 10 ? ? O2 A U 10 ? ? 117.67 122.20 -4.53 0.70 N
|
| 715 |
+
52 1 N3 A U 10 ? ? C4 A U 10 ? ? O4 A U 10 ? ? 110.82 119.40 -8.58 0.70 N
|
| 716 |
+
53 1 "O3'" A C 11 ? ? P A C 12 ? ? OP1 A C 12 ? ? 87.90 105.20 -17.30 2.20 Y
|
| 717 |
+
54 1 N3 A C 12 ? ? C4 A C 12 ? ? N4 A C 12 ? ? 109.44 118.00 -8.56 0.70 N
|
| 718 |
+
55 1 C5 A C 12 ? ? C4 A C 12 ? ? N4 A C 12 ? ? 127.57 120.20 7.37 0.70 N
|
| 719 |
+
#
|
| 720 |
+
loop_
|
| 721 |
+
_pdbx_struct_special_symmetry.id
|
| 722 |
+
_pdbx_struct_special_symmetry.PDB_model_num
|
| 723 |
+
_pdbx_struct_special_symmetry.auth_asym_id
|
| 724 |
+
_pdbx_struct_special_symmetry.auth_comp_id
|
| 725 |
+
_pdbx_struct_special_symmetry.auth_seq_id
|
| 726 |
+
_pdbx_struct_special_symmetry.PDB_ins_code
|
| 727 |
+
_pdbx_struct_special_symmetry.label_asym_id
|
| 728 |
+
_pdbx_struct_special_symmetry.label_comp_id
|
| 729 |
+
_pdbx_struct_special_symmetry.label_seq_id
|
| 730 |
+
1 1 A HOH 39 ? B HOH .
|
| 731 |
+
2 1 A HOH 58 ? B HOH .
|
| 732 |
+
#
|
| 733 |
+
loop_
|
| 734 |
+
_refine_B_iso.class
|
| 735 |
+
_refine_B_iso.details
|
| 736 |
+
_refine_B_iso.treatment
|
| 737 |
+
_refine_B_iso.pdbx_refine_id
|
| 738 |
+
'ALL ATOMS' TR isotropic 'X-RAY DIFFRACTION'
|
| 739 |
+
'ALL WATERS' TR isotropic 'X-RAY DIFFRACTION'
|
| 740 |
+
#
|
| 741 |
+
loop_
|
| 742 |
+
_refine_occupancy.class
|
| 743 |
+
_refine_occupancy.treatment
|
| 744 |
+
_refine_occupancy.pdbx_refine_id
|
| 745 |
+
'ALL ATOMS' fix 'X-RAY DIFFRACTION'
|
| 746 |
+
'ALL WATERS' fix 'X-RAY DIFFRACTION'
|
| 747 |
+
#
|
| 748 |
+
loop_
|
| 749 |
+
_chem_comp_atom.comp_id
|
| 750 |
+
_chem_comp_atom.atom_id
|
| 751 |
+
_chem_comp_atom.type_symbol
|
| 752 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 753 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 754 |
+
_chem_comp_atom.pdbx_ordinal
|
| 755 |
+
A OP3 O N N 1
|
| 756 |
+
A P P N N 2
|
| 757 |
+
A OP1 O N N 3
|
| 758 |
+
A OP2 O N N 4
|
| 759 |
+
A "O5'" O N N 5
|
| 760 |
+
A "C5'" C N N 6
|
| 761 |
+
A "C4'" C N R 7
|
| 762 |
+
A "O4'" O N N 8
|
| 763 |
+
A "C3'" C N S 9
|
| 764 |
+
A "O3'" O N N 10
|
| 765 |
+
A "C2'" C N R 11
|
| 766 |
+
A "O2'" O N N 12
|
| 767 |
+
A "C1'" C N R 13
|
| 768 |
+
A N9 N Y N 14
|
| 769 |
+
A C8 C Y N 15
|
| 770 |
+
A N7 N Y N 16
|
| 771 |
+
A C5 C Y N 17
|
| 772 |
+
A C6 C Y N 18
|
| 773 |
+
A N6 N N N 19
|
| 774 |
+
A N1 N Y N 20
|
| 775 |
+
A C2 C Y N 21
|
| 776 |
+
A N3 N Y N 22
|
| 777 |
+
A C4 C Y N 23
|
| 778 |
+
A HOP3 H N N 24
|
| 779 |
+
A HOP2 H N N 25
|
| 780 |
+
A "H5'" H N N 26
|
| 781 |
+
A "H5''" H N N 27
|
| 782 |
+
A "H4'" H N N 28
|
| 783 |
+
A "H3'" H N N 29
|
| 784 |
+
A "HO3'" H N N 30
|
| 785 |
+
A "H2'" H N N 31
|
| 786 |
+
A "HO2'" H N N 32
|
| 787 |
+
A "H1'" H N N 33
|
| 788 |
+
A H8 H N N 34
|
| 789 |
+
A H61 H N N 35
|
| 790 |
+
A H62 H N N 36
|
| 791 |
+
A H2 H N N 37
|
| 792 |
+
C OP3 O N N 38
|
| 793 |
+
C P P N N 39
|
| 794 |
+
C OP1 O N N 40
|
| 795 |
+
C OP2 O N N 41
|
| 796 |
+
C "O5'" O N N 42
|
| 797 |
+
C "C5'" C N N 43
|
| 798 |
+
C "C4'" C N R 44
|
| 799 |
+
C "O4'" O N N 45
|
| 800 |
+
C "C3'" C N S 46
|
| 801 |
+
C "O3'" O N N 47
|
| 802 |
+
C "C2'" C N R 48
|
| 803 |
+
C "O2'" O N N 49
|
| 804 |
+
C "C1'" C N R 50
|
| 805 |
+
C N1 N N N 51
|
| 806 |
+
C C2 C N N 52
|
| 807 |
+
C O2 O N N 53
|
| 808 |
+
C N3 N N N 54
|
| 809 |
+
C C4 C N N 55
|
| 810 |
+
C N4 N N N 56
|
| 811 |
+
C C5 C N N 57
|
| 812 |
+
C C6 C N N 58
|
| 813 |
+
C HOP3 H N N 59
|
| 814 |
+
C HOP2 H N N 60
|
| 815 |
+
C "H5'" H N N 61
|
| 816 |
+
C "H5''" H N N 62
|
| 817 |
+
C "H4'" H N N 63
|
| 818 |
+
C "H3'" H N N 64
|
| 819 |
+
C "HO3'" H N N 65
|
| 820 |
+
C "H2'" H N N 66
|
| 821 |
+
C "HO2'" H N N 67
|
| 822 |
+
C "H1'" H N N 68
|
| 823 |
+
C H41 H N N 69
|
| 824 |
+
C H42 H N N 70
|
| 825 |
+
C H5 H N N 71
|
| 826 |
+
C H6 H N N 72
|
| 827 |
+
G OP3 O N N 73
|
| 828 |
+
G P P N N 74
|
| 829 |
+
G OP1 O N N 75
|
| 830 |
+
G OP2 O N N 76
|
| 831 |
+
G "O5'" O N N 77
|
| 832 |
+
G "C5'" C N N 78
|
| 833 |
+
G "C4'" C N R 79
|
| 834 |
+
G "O4'" O N N 80
|
| 835 |
+
G "C3'" C N S 81
|
| 836 |
+
G "O3'" O N N 82
|
| 837 |
+
G "C2'" C N R 83
|
| 838 |
+
G "O2'" O N N 84
|
| 839 |
+
G "C1'" C N R 85
|
| 840 |
+
G N9 N Y N 86
|
| 841 |
+
G C8 C Y N 87
|
| 842 |
+
G N7 N Y N 88
|
| 843 |
+
G C5 C Y N 89
|
| 844 |
+
G C6 C N N 90
|
| 845 |
+
G O6 O N N 91
|
| 846 |
+
G N1 N N N 92
|
| 847 |
+
G C2 C N N 93
|
| 848 |
+
G N2 N N N 94
|
| 849 |
+
G N3 N N N 95
|
| 850 |
+
G C4 C Y N 96
|
| 851 |
+
G HOP3 H N N 97
|
| 852 |
+
G HOP2 H N N 98
|
| 853 |
+
G "H5'" H N N 99
|
| 854 |
+
G "H5''" H N N 100
|
| 855 |
+
G "H4'" H N N 101
|
| 856 |
+
G "H3'" H N N 102
|
| 857 |
+
G "HO3'" H N N 103
|
| 858 |
+
G "H2'" H N N 104
|
| 859 |
+
G "HO2'" H N N 105
|
| 860 |
+
G "H1'" H N N 106
|
| 861 |
+
G H8 H N N 107
|
| 862 |
+
G H1 H N N 108
|
| 863 |
+
G H21 H N N 109
|
| 864 |
+
G H22 H N N 110
|
| 865 |
+
HOH O O N N 111
|
| 866 |
+
HOH H1 H N N 112
|
| 867 |
+
HOH H2 H N N 113
|
| 868 |
+
U OP3 O N N 114
|
| 869 |
+
U P P N N 115
|
| 870 |
+
U OP1 O N N 116
|
| 871 |
+
U OP2 O N N 117
|
| 872 |
+
U "O5'" O N N 118
|
| 873 |
+
U "C5'" C N N 119
|
| 874 |
+
U "C4'" C N R 120
|
| 875 |
+
U "O4'" O N N 121
|
| 876 |
+
U "C3'" C N S 122
|
| 877 |
+
U "O3'" O N N 123
|
| 878 |
+
U "C2'" C N R 124
|
| 879 |
+
U "O2'" O N N 125
|
| 880 |
+
U "C1'" C N R 126
|
| 881 |
+
U N1 N N N 127
|
| 882 |
+
U C2 C N N 128
|
| 883 |
+
U O2 O N N 129
|
| 884 |
+
U N3 N N N 130
|
| 885 |
+
U C4 C N N 131
|
| 886 |
+
U O4 O N N 132
|
| 887 |
+
U C5 C N N 133
|
| 888 |
+
U C6 C N N 134
|
| 889 |
+
U HOP3 H N N 135
|
| 890 |
+
U HOP2 H N N 136
|
| 891 |
+
U "H5'" H N N 137
|
| 892 |
+
U "H5''" H N N 138
|
| 893 |
+
U "H4'" H N N 139
|
| 894 |
+
U "H3'" H N N 140
|
| 895 |
+
U "HO3'" H N N 141
|
| 896 |
+
U "H2'" H N N 142
|
| 897 |
+
U "HO2'" H N N 143
|
| 898 |
+
U "H1'" H N N 144
|
| 899 |
+
U H3 H N N 145
|
| 900 |
+
U H5 H N N 146
|
| 901 |
+
U H6 H N N 147
|
| 902 |
+
#
|
| 903 |
+
loop_
|
| 904 |
+
_chem_comp_bond.comp_id
|
| 905 |
+
_chem_comp_bond.atom_id_1
|
| 906 |
+
_chem_comp_bond.atom_id_2
|
| 907 |
+
_chem_comp_bond.value_order
|
| 908 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 909 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 910 |
+
_chem_comp_bond.pdbx_ordinal
|
| 911 |
+
A OP3 P sing N N 1
|
| 912 |
+
A OP3 HOP3 sing N N 2
|
| 913 |
+
A P OP1 doub N N 3
|
| 914 |
+
A P OP2 sing N N 4
|
| 915 |
+
A P "O5'" sing N N 5
|
| 916 |
+
A OP2 HOP2 sing N N 6
|
| 917 |
+
A "O5'" "C5'" sing N N 7
|
| 918 |
+
A "C5'" "C4'" sing N N 8
|
| 919 |
+
A "C5'" "H5'" sing N N 9
|
| 920 |
+
A "C5'" "H5''" sing N N 10
|
| 921 |
+
A "C4'" "O4'" sing N N 11
|
| 922 |
+
A "C4'" "C3'" sing N N 12
|
| 923 |
+
A "C4'" "H4'" sing N N 13
|
| 924 |
+
A "O4'" "C1'" sing N N 14
|
| 925 |
+
A "C3'" "O3'" sing N N 15
|
| 926 |
+
A "C3'" "C2'" sing N N 16
|
| 927 |
+
A "C3'" "H3'" sing N N 17
|
| 928 |
+
A "O3'" "HO3'" sing N N 18
|
| 929 |
+
A "C2'" "O2'" sing N N 19
|
| 930 |
+
A "C2'" "C1'" sing N N 20
|
| 931 |
+
A "C2'" "H2'" sing N N 21
|
| 932 |
+
A "O2'" "HO2'" sing N N 22
|
| 933 |
+
A "C1'" N9 sing N N 23
|
| 934 |
+
A "C1'" "H1'" sing N N 24
|
| 935 |
+
A N9 C8 sing Y N 25
|
| 936 |
+
A N9 C4 sing Y N 26
|
| 937 |
+
A C8 N7 doub Y N 27
|
| 938 |
+
A C8 H8 sing N N 28
|
| 939 |
+
A N7 C5 sing Y N 29
|
| 940 |
+
A C5 C6 sing Y N 30
|
| 941 |
+
A C5 C4 doub Y N 31
|
| 942 |
+
A C6 N6 sing N N 32
|
| 943 |
+
A C6 N1 doub Y N 33
|
| 944 |
+
A N6 H61 sing N N 34
|
| 945 |
+
A N6 H62 sing N N 35
|
| 946 |
+
A N1 C2 sing Y N 36
|
| 947 |
+
A C2 N3 doub Y N 37
|
| 948 |
+
A C2 H2 sing N N 38
|
| 949 |
+
A N3 C4 sing Y N 39
|
| 950 |
+
C OP3 P sing N N 40
|
| 951 |
+
C OP3 HOP3 sing N N 41
|
| 952 |
+
C P OP1 doub N N 42
|
| 953 |
+
C P OP2 sing N N 43
|
| 954 |
+
C P "O5'" sing N N 44
|
| 955 |
+
C OP2 HOP2 sing N N 45
|
| 956 |
+
C "O5'" "C5'" sing N N 46
|
| 957 |
+
C "C5'" "C4'" sing N N 47
|
| 958 |
+
C "C5'" "H5'" sing N N 48
|
| 959 |
+
C "C5'" "H5''" sing N N 49
|
| 960 |
+
C "C4'" "O4'" sing N N 50
|
| 961 |
+
C "C4'" "C3'" sing N N 51
|
| 962 |
+
C "C4'" "H4'" sing N N 52
|
| 963 |
+
C "O4'" "C1'" sing N N 53
|
| 964 |
+
C "C3'" "O3'" sing N N 54
|
| 965 |
+
C "C3'" "C2'" sing N N 55
|
| 966 |
+
C "C3'" "H3'" sing N N 56
|
| 967 |
+
C "O3'" "HO3'" sing N N 57
|
| 968 |
+
C "C2'" "O2'" sing N N 58
|
| 969 |
+
C "C2'" "C1'" sing N N 59
|
| 970 |
+
C "C2'" "H2'" sing N N 60
|
| 971 |
+
C "O2'" "HO2'" sing N N 61
|
| 972 |
+
C "C1'" N1 sing N N 62
|
| 973 |
+
C "C1'" "H1'" sing N N 63
|
| 974 |
+
C N1 C2 sing N N 64
|
| 975 |
+
C N1 C6 sing N N 65
|
| 976 |
+
C C2 O2 doub N N 66
|
| 977 |
+
C C2 N3 sing N N 67
|
| 978 |
+
C N3 C4 doub N N 68
|
| 979 |
+
C C4 N4 sing N N 69
|
| 980 |
+
C C4 C5 sing N N 70
|
| 981 |
+
C N4 H41 sing N N 71
|
| 982 |
+
C N4 H42 sing N N 72
|
| 983 |
+
C C5 C6 doub N N 73
|
| 984 |
+
C C5 H5 sing N N 74
|
| 985 |
+
C C6 H6 sing N N 75
|
| 986 |
+
G OP3 P sing N N 76
|
| 987 |
+
G OP3 HOP3 sing N N 77
|
| 988 |
+
G P OP1 doub N N 78
|
| 989 |
+
G P OP2 sing N N 79
|
| 990 |
+
G P "O5'" sing N N 80
|
| 991 |
+
G OP2 HOP2 sing N N 81
|
| 992 |
+
G "O5'" "C5'" sing N N 82
|
| 993 |
+
G "C5'" "C4'" sing N N 83
|
| 994 |
+
G "C5'" "H5'" sing N N 84
|
| 995 |
+
G "C5'" "H5''" sing N N 85
|
| 996 |
+
G "C4'" "O4'" sing N N 86
|
| 997 |
+
G "C4'" "C3'" sing N N 87
|
| 998 |
+
G "C4'" "H4'" sing N N 88
|
| 999 |
+
G "O4'" "C1'" sing N N 89
|
| 1000 |
+
G "C3'" "O3'" sing N N 90
|
| 1001 |
+
G "C3'" "C2'" sing N N 91
|
| 1002 |
+
G "C3'" "H3'" sing N N 92
|
| 1003 |
+
G "O3'" "HO3'" sing N N 93
|
| 1004 |
+
G "C2'" "O2'" sing N N 94
|
| 1005 |
+
G "C2'" "C1'" sing N N 95
|
| 1006 |
+
G "C2'" "H2'" sing N N 96
|
| 1007 |
+
G "O2'" "HO2'" sing N N 97
|
| 1008 |
+
G "C1'" N9 sing N N 98
|
| 1009 |
+
G "C1'" "H1'" sing N N 99
|
| 1010 |
+
G N9 C8 sing Y N 100
|
| 1011 |
+
G N9 C4 sing Y N 101
|
| 1012 |
+
G C8 N7 doub Y N 102
|
| 1013 |
+
G C8 H8 sing N N 103
|
| 1014 |
+
G N7 C5 sing Y N 104
|
| 1015 |
+
G C5 C6 sing N N 105
|
| 1016 |
+
G C5 C4 doub Y N 106
|
| 1017 |
+
G C6 O6 doub N N 107
|
| 1018 |
+
G C6 N1 sing N N 108
|
| 1019 |
+
G N1 C2 sing N N 109
|
| 1020 |
+
G N1 H1 sing N N 110
|
| 1021 |
+
G C2 N2 sing N N 111
|
| 1022 |
+
G C2 N3 doub N N 112
|
| 1023 |
+
G N2 H21 sing N N 113
|
| 1024 |
+
G N2 H22 sing N N 114
|
| 1025 |
+
G N3 C4 sing N N 115
|
| 1026 |
+
HOH O H1 sing N N 116
|
| 1027 |
+
HOH O H2 sing N N 117
|
| 1028 |
+
U OP3 P sing N N 118
|
| 1029 |
+
U OP3 HOP3 sing N N 119
|
| 1030 |
+
U P OP1 doub N N 120
|
| 1031 |
+
U P OP2 sing N N 121
|
| 1032 |
+
U P "O5'" sing N N 122
|
| 1033 |
+
U OP2 HOP2 sing N N 123
|
| 1034 |
+
U "O5'" "C5'" sing N N 124
|
| 1035 |
+
U "C5'" "C4'" sing N N 125
|
| 1036 |
+
U "C5'" "H5'" sing N N 126
|
| 1037 |
+
U "C5'" "H5''" sing N N 127
|
| 1038 |
+
U "C4'" "O4'" sing N N 128
|
| 1039 |
+
U "C4'" "C3'" sing N N 129
|
| 1040 |
+
U "C4'" "H4'" sing N N 130
|
| 1041 |
+
U "O4'" "C1'" sing N N 131
|
| 1042 |
+
U "C3'" "O3'" sing N N 132
|
| 1043 |
+
U "C3'" "C2'" sing N N 133
|
| 1044 |
+
U "C3'" "H3'" sing N N 134
|
| 1045 |
+
U "O3'" "HO3'" sing N N 135
|
| 1046 |
+
U "C2'" "O2'" sing N N 136
|
| 1047 |
+
U "C2'" "C1'" sing N N 137
|
| 1048 |
+
U "C2'" "H2'" sing N N 138
|
| 1049 |
+
U "O2'" "HO2'" sing N N 139
|
| 1050 |
+
U "C1'" N1 sing N N 140
|
| 1051 |
+
U "C1'" "H1'" sing N N 141
|
| 1052 |
+
U N1 C2 sing N N 142
|
| 1053 |
+
U N1 C6 sing N N 143
|
| 1054 |
+
U C2 O2 doub N N 144
|
| 1055 |
+
U C2 N3 sing N N 145
|
| 1056 |
+
U N3 C4 sing N N 146
|
| 1057 |
+
U N3 H3 sing N N 147
|
| 1058 |
+
U C4 O4 doub N N 148
|
| 1059 |
+
U C4 C5 sing N N 149
|
| 1060 |
+
U C5 C6 doub N N 150
|
| 1061 |
+
U C5 H5 sing N N 151
|
| 1062 |
+
U C6 H6 sing N N 152
|
| 1063 |
+
#
|
| 1064 |
+
loop_
|
| 1065 |
+
_ndb_struct_conf_na.entry_id
|
| 1066 |
+
_ndb_struct_conf_na.feature
|
| 1067 |
+
255D 'double helix'
|
| 1068 |
+
255D 'a-form double helix'
|
| 1069 |
+
255D 'mismatched base pair'
|
| 1070 |
+
#
|
| 1071 |
+
loop_
|
| 1072 |
+
_ndb_struct_na_base_pair.model_number
|
| 1073 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1074 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1075 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1076 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1077 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1078 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1079 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1080 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1081 |
+
_ndb_struct_na_base_pair.shear
|
| 1082 |
+
_ndb_struct_na_base_pair.stretch
|
| 1083 |
+
_ndb_struct_na_base_pair.stagger
|
| 1084 |
+
_ndb_struct_na_base_pair.buckle
|
| 1085 |
+
_ndb_struct_na_base_pair.propeller
|
| 1086 |
+
_ndb_struct_na_base_pair.opening
|
| 1087 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1088 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1089 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1090 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1091 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1092 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1093 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1094 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1095 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1096 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1097 |
+
1 A G 1 1_555 A C 12 2_656 -0.298 -0.120 -0.153 0.040 0.663 1.779 1 A_G1:C12_A A 1 ? A 12 ? 19 1
|
| 1098 |
+
1 A G 2 1_555 A C 11 2_656 -0.207 -0.258 -0.149 -1.755 -12.543 2.507 2 A_G2:C11_A A 2 ? A 11 ? 19 1
|
| 1099 |
+
1 A A 3 1_555 A U 10 2_656 -0.150 -0.095 -0.148 -5.907 -5.106 3.685 3 A_A3:U10_A A 3 ? A 10 ? 20 1
|
| 1100 |
+
1 A C 4 1_555 A G 9 2_656 0.118 -0.064 -0.090 3.547 -6.622 0.987 4 A_C4:G9_A A 4 ? A 9 ? 19 1
|
| 1101 |
+
1 A U 5 1_555 A G 8 2_656 2.360 -0.590 0.072 -7.871 -12.854 0.904 5 A_U5:G8_A A 5 ? A 8 ? 28 ?
|
| 1102 |
+
1 A U 6 1_555 A C 7 2_656 -0.547 0.041 0.149 -9.508 8.336 -37.641 6 A_U6:C7_A A 6 ? A 7 ? ? ?
|
| 1103 |
+
1 A C 7 1_555 A U 6 2_656 0.547 0.041 0.149 9.508 8.336 -37.641 7 A_C7:U6_A A 7 ? A 6 ? ? ?
|
| 1104 |
+
1 A G 8 1_555 A U 5 2_656 -2.360 -0.590 0.072 7.871 -12.854 0.904 8 A_G8:U5_A A 8 ? A 5 ? 28 ?
|
| 1105 |
+
1 A G 9 1_555 A C 4 2_656 -0.118 -0.064 -0.090 -3.547 -6.622 0.987 9 A_G9:C4_A A 9 ? A 4 ? 19 1
|
| 1106 |
+
1 A U 10 1_555 A A 3 2_656 0.150 -0.095 -0.148 5.907 -5.106 3.685 10 A_U10:A3_A A 10 ? A 3 ? 20 1
|
| 1107 |
+
1 A C 11 1_555 A G 2 2_656 0.207 -0.258 -0.149 1.755 -12.543 2.507 11 A_C11:G2_A A 11 ? A 2 ? 19 1
|
| 1108 |
+
1 A C 12 1_555 A G 1 2_656 0.298 -0.120 -0.153 -0.040 0.663 1.779 12 A_C12:G1_A A 12 ? A 1 ? 19 1
|
| 1109 |
+
#
|
| 1110 |
+
loop_
|
| 1111 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1112 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1113 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1114 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1115 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1116 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1117 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1118 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1119 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1120 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1121 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1122 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1123 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1124 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1125 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1126 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1127 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1128 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1129 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1130 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1131 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1132 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1133 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1134 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1135 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1136 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1137 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1138 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1139 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1140 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1141 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1142 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1143 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1144 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1145 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1146 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1147 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1148 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1149 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1150 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1151 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1152 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1153 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1154 |
+
1 A G 1 1_555 A C 12 2_656 A G 2 1_555 A C 11 2_656 -0.697 -2.001 3.366 -2.305 9.034 32.553 -4.834 0.841 2.769 15.718 4.011
|
| 1155 |
+
33.827 1 AA_G1G2:C11C12_AA A 1 ? A 12 ? A 2 ? A 11 ?
|
| 1156 |
+
1 A G 2 1_555 A C 11 2_656 A A 3 1_555 A U 10 2_656 -0.152 -1.618 3.416 -1.527 6.966 31.795 -4.093 0.006 3.007 12.519 2.744
|
| 1157 |
+
32.565 2 AA_G2A3:U10C11_AA A 2 ? A 11 ? A 3 ? A 10 ?
|
| 1158 |
+
1 A A 3 1_555 A U 10 2_656 A C 4 1_555 A G 9 2_656 0.791 -2.331 3.083 2.489 4.080 24.118 -6.601 -1.172 2.724 9.644 -5.883
|
| 1159 |
+
24.580 3 AA_A3C4:G9U10_AA A 3 ? A 10 ? A 4 ? A 9 ?
|
| 1160 |
+
1 A C 4 1_555 A G 9 2_656 A U 5 1_555 A G 8 2_656 0.500 -1.917 3.549 2.771 5.895 45.487 -2.994 -0.388 3.313 7.578 -3.562
|
| 1161 |
+
45.926 4 AA_C4U5:G8G9_AA A 4 ? A 9 ? A 5 ? A 8 ?
|
| 1162 |
+
1 A U 5 1_555 A G 8 2_656 A U 6 1_555 A C 7 2_656 -3.290 -2.243 3.405 2.511 8.823 18.937 -9.237 9.896 1.748 25.004 -7.117
|
| 1163 |
+
21.024 5 AA_U5U6:C7G8_AA A 5 ? A 8 ? A 6 ? A 7 ?
|
| 1164 |
+
1 A U 6 1_555 A C 7 2_656 A C 7 1_555 A U 6 2_656 0.000 -1.675 3.205 0.000 6.093 33.479 -3.773 0.000 2.865 10.469 0.000
|
| 1165 |
+
34.013 6 AA_U6C7:U6C7_AA A 6 ? A 7 ? A 7 ? A 6 ?
|
| 1166 |
+
1 A C 7 1_555 A U 6 2_656 A G 8 1_555 A U 5 2_656 3.290 -2.243 3.405 -2.511 8.823 18.937 -9.237 -9.896 1.748 25.004 7.117
|
| 1167 |
+
21.024 7 AA_C7G8:U5U6_AA A 7 ? A 6 ? A 8 ? A 5 ?
|
| 1168 |
+
1 A G 8 1_555 A U 5 2_656 A G 9 1_555 A C 4 2_656 -0.500 -1.917 3.549 -2.771 5.895 45.487 -2.994 0.388 3.313 7.578 3.562
|
| 1169 |
+
45.926 8 AA_G8G9:C4U5_AA A 8 ? A 5 ? A 9 ? A 4 ?
|
| 1170 |
+
1 A G 9 1_555 A C 4 2_656 A U 10 1_555 A A 3 2_656 -0.791 -2.331 3.083 -2.489 4.080 24.118 -6.601 1.172 2.724 9.644 5.883
|
| 1171 |
+
24.580 9 AA_G9U10:A3C4_AA A 9 ? A 4 ? A 10 ? A 3 ?
|
| 1172 |
+
1 A U 10 1_555 A A 3 2_656 A C 11 1_555 A G 2 2_656 0.152 -1.618 3.416 1.527 6.966 31.795 -4.093 -0.006 3.007 12.519 -2.744
|
| 1173 |
+
32.565 10 AA_U10C11:G2A3_AA A 10 ? A 3 ? A 11 ? A 2 ?
|
| 1174 |
+
1 A C 11 1_555 A G 2 2_656 A C 12 1_555 A G 1 2_656 0.697 -2.001 3.366 2.305 9.034 32.553 -4.834 -0.841 2.769 15.718 -4.011
|
| 1175 |
+
33.827 11 AA_C11C12:G1G2_AA A 11 ? A 2 ? A 12 ? A 1 ?
|
| 1176 |
+
#
|
| 1177 |
+
_atom_sites.entry_id 255D
|
| 1178 |
+
_atom_sites.fract_transf_matrix[1][1] 0.026123
|
| 1179 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 1180 |
+
_atom_sites.fract_transf_matrix[1][3] 0.018156
|
| 1181 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1182 |
+
_atom_sites.fract_transf_matrix[2][2] 0.030979
|
| 1183 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1184 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1185 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1186 |
+
_atom_sites.fract_transf_matrix[3][3] 0.033475
|
| 1187 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 1188 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 1189 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 1190 |
+
#
|
| 1191 |
+
loop_
|
| 1192 |
+
_atom_type.symbol
|
| 1193 |
+
C
|
| 1194 |
+
N
|
| 1195 |
+
O
|
| 1196 |
+
P
|
| 1197 |
+
#
|
| 1198 |
+
loop_
|
| 1199 |
+
_atom_site.group_PDB
|
| 1200 |
+
_atom_site.id
|
| 1201 |
+
_atom_site.type_symbol
|
| 1202 |
+
_atom_site.label_atom_id
|
| 1203 |
+
_atom_site.label_alt_id
|
| 1204 |
+
_atom_site.label_comp_id
|
| 1205 |
+
_atom_site.label_asym_id
|
| 1206 |
+
_atom_site.label_entity_id
|
| 1207 |
+
_atom_site.label_seq_id
|
| 1208 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1209 |
+
_atom_site.Cartn_x
|
| 1210 |
+
_atom_site.Cartn_y
|
| 1211 |
+
_atom_site.Cartn_z
|
| 1212 |
+
_atom_site.occupancy
|
| 1213 |
+
_atom_site.B_iso_or_equiv
|
| 1214 |
+
_atom_site.pdbx_formal_charge
|
| 1215 |
+
_atom_site.auth_seq_id
|
| 1216 |
+
_atom_site.auth_comp_id
|
| 1217 |
+
_atom_site.auth_asym_id
|
| 1218 |
+
_atom_site.auth_atom_id
|
| 1219 |
+
_atom_site.pdbx_PDB_model_num
|
| 1220 |
+
ATOM 1 O OP3 . G A 1 1 ? 8.893 36.412 2.241 1.00 32.40 ? 1 G A OP3 1
|
| 1221 |
+
ATOM 2 P P . G A 1 1 ? 7.818 35.669 1.255 1.00 32.55 ? 1 G A P 1
|
| 1222 |
+
ATOM 3 O OP1 . G A 1 1 ? 7.212 34.572 2.181 1.00 32.01 ? 1 G A OP1 1
|
| 1223 |
+
ATOM 4 O OP2 . G A 1 1 ? 8.815 35.217 0.149 1.00 31.90 ? 1 G A OP2 1
|
| 1224 |
+
ATOM 5 O "O5'" . G A 1 1 ? 6.644 36.702 1.016 1.00 29.61 ? 1 G A "O5'" 1
|
| 1225 |
+
ATOM 6 C "C5'" . G A 1 1 ? 7.092 38.058 0.866 1.00 25.81 ? 1 G A "C5'" 1
|
| 1226 |
+
ATOM 7 C "C4'" . G A 1 1 ? 5.804 38.801 0.627 1.00 22.69 ? 1 G A "C4'" 1
|
| 1227 |
+
ATOM 8 O "O4'" . G A 1 1 ? 4.892 38.123 -0.209 1.00 21.38 ? 1 G A "O4'" 1
|
| 1228 |
+
ATOM 9 C "C3'" . G A 1 1 ? 5.043 38.994 1.942 1.00 21.94 ? 1 G A "C3'" 1
|
| 1229 |
+
ATOM 10 O "O3'" . G A 1 1 ? 5.763 39.898 2.778 1.00 22.29 ? 1 G A "O3'" 1
|
| 1230 |
+
ATOM 11 C "C2'" . G A 1 1 ? 3.635 39.317 1.434 1.00 20.38 ? 1 G A "C2'" 1
|
| 1231 |
+
ATOM 12 O "O2'" . G A 1 1 ? 3.696 40.673 1.016 1.00 21.09 ? 1 G A "O2'" 1
|
| 1232 |
+
ATOM 13 C "C1'" . G A 1 1 ? 3.585 38.381 0.239 1.00 17.45 ? 1 G A "C1'" 1
|
| 1233 |
+
ATOM 14 N N9 . G A 1 1 ? 3.047 37.057 0.627 1.00 15.64 ? 1 G A N9 1
|
| 1234 |
+
ATOM 15 C C8 . G A 1 1 ? 3.596 35.863 0.388 1.00 13.98 ? 1 G A C8 1
|
| 1235 |
+
ATOM 16 N N7 . G A 1 1 ? 2.791 34.895 0.777 1.00 14.02 ? 1 G A N7 1
|
| 1236 |
+
ATOM 17 C C5 . G A 1 1 ? 1.637 35.508 1.225 1.00 13.08 ? 1 G A C5 1
|
| 1237 |
+
ATOM 18 C C6 . G A 1 1 ? 0.424 34.992 1.703 1.00 13.33 ? 1 G A C6 1
|
| 1238 |
+
ATOM 19 O O6 . G A 1 1 ? 0.070 33.829 1.882 1.00 13.54 ? 1 G A O6 1
|
| 1239 |
+
ATOM 20 N N1 . G A 1 1 ? -0.490 35.960 1.972 1.00 12.82 ? 1 G A N1 1
|
| 1240 |
+
ATOM 21 C C2 . G A 1 1 ? -0.254 37.283 1.852 1.00 12.50 ? 1 G A C2 1
|
| 1241 |
+
ATOM 22 N N2 . G A 1 1 ? -1.289 38.026 2.241 1.00 13.22 ? 1 G A N2 1
|
| 1242 |
+
ATOM 23 N N3 . G A 1 1 ? 0.862 37.832 1.404 1.00 13.63 ? 1 G A N3 1
|
| 1243 |
+
ATOM 24 C C4 . G A 1 1 ? 1.779 36.864 1.075 1.00 13.72 ? 1 G A C4 1
|
| 1244 |
+
ATOM 25 P P . G A 1 2 ? 5.596 39.608 4.451 1.00 21.60 ? 2 G A P 1
|
| 1245 |
+
ATOM 26 O OP1 . G A 1 2 ? 6.561 40.705 4.660 1.00 22.08 ? 2 G A OP1 1
|
| 1246 |
+
ATOM 27 O OP2 . G A 1 2 ? 5.940 38.155 4.451 1.00 21.21 ? 2 G A OP2 1
|
| 1247 |
+
ATOM 28 O "O5'" . G A 1 2 ? 4.184 40.189 4.720 1.00 20.37 ? 2 G A "O5'" 1
|
| 1248 |
+
ATOM 29 C "C5'" . G A 1 2 ? 3.755 41.577 4.511 1.00 17.58 ? 2 G A "C5'" 1
|
| 1249 |
+
ATOM 30 C "C4'" . G A 1 2 ? 2.348 41.641 5.049 1.00 16.27 ? 2 G A "C4'" 1
|
| 1250 |
+
ATOM 31 O "O4'" . G A 1 2 ? 1.451 40.834 4.302 1.00 15.10 ? 2 G A "O4'" 1
|
| 1251 |
+
ATOM 32 C "C3'" . G A 1 2 ? 2.253 41.060 6.453 1.00 15.39 ? 2 G A "C3'" 1
|
| 1252 |
+
ATOM 33 O "O3'" . G A 1 2 ? 2.754 41.964 7.438 1.00 16.35 ? 2 G A "O3'" 1
|
| 1253 |
+
ATOM 34 C "C2'" . G A 1 2 ? 0.753 40.770 6.572 1.00 14.27 ? 2 G A "C2'" 1
|
| 1254 |
+
ATOM 35 O "O2'" . G A 1 2 ? 0.102 42.029 6.572 1.00 15.38 ? 2 G A "O2'" 1
|
| 1255 |
+
ATOM 36 C "C1'" . G A 1 2 ? 0.504 40.221 5.168 1.00 11.62 ? 2 G A "C1'" 1
|
| 1256 |
+
ATOM 37 N N9 . G A 1 2 ? 0.754 38.768 5.138 1.00 10.64 ? 2 G A N9 1
|
| 1257 |
+
ATOM 38 C C8 . G A 1 2 ? 1.814 38.058 4.660 1.00 8.99 ? 2 G A C8 1
|
| 1258 |
+
ATOM 39 N N7 . G A 1 2 ? 1.672 36.767 4.810 1.00 9.16 ? 2 G A N7 1
|
| 1259 |
+
ATOM 40 C C5 . G A 1 2 ? 0.362 36.638 5.317 1.00 8.58 ? 2 G A C5 1
|
| 1260 |
+
ATOM 41 C C6 . G A 1 2 ? -0.402 35.508 5.646 1.00 8.37 ? 2 G A C6 1
|
| 1261 |
+
ATOM 42 O O6 . G A 1 2 ? -0.086 34.346 5.467 1.00 9.09 ? 2 G A O6 1
|
| 1262 |
+
ATOM 43 N N1 . G A 1 2 ? -1.618 35.766 6.184 1.00 8.02 ? 2 G A N1 1
|
| 1263 |
+
ATOM 44 C C2 . G A 1 2 ? -2.070 37.025 6.393 1.00 7.74 ? 2 G A C2 1
|
| 1264 |
+
ATOM 45 N N2 . G A 1 2 ? -3.268 37.154 6.961 1.00 8.93 ? 2 G A N2 1
|
| 1265 |
+
ATOM 46 N N3 . G A 1 2 ? -1.403 38.123 6.094 1.00 8.84 ? 2 G A N3 1
|
| 1266 |
+
ATOM 47 C C4 . G A 1 2 ? -0.204 37.864 5.527 1.00 8.69 ? 2 G A C4 1
|
| 1267 |
+
ATOM 48 P P . A A 1 3 ? 3.351 41.222 8.783 1.00 16.71 ? 3 A A P 1
|
| 1268 |
+
ATOM 49 O OP1 . A A 1 3 ? 3.583 42.545 9.440 1.00 18.05 ? 3 A A OP1 1
|
| 1269 |
+
ATOM 50 O OP2 . A A 1 3 ? 4.273 40.156 8.723 1.00 16.52 ? 3 A A OP2 1
|
| 1270 |
+
ATOM 51 O "O5'" . A A 1 3 ? 1.983 40.802 9.649 1.00 15.11 ? 3 A A "O5'" 1
|
| 1271 |
+
ATOM 52 C "C5'" . A A 1 3 ? 0.993 41.835 9.918 1.00 12.32 ? 3 A A "C5'" 1
|
| 1272 |
+
ATOM 53 C "C4'" . A A 1 3 ? -0.098 41.028 10.605 1.00 11.08 ? 3 A A "C4'" 1
|
| 1273 |
+
ATOM 54 O "O4'" . A A 1 3 ? -0.735 40.189 9.649 1.00 9.97 ? 3 A A "O4'" 1
|
| 1274 |
+
ATOM 55 C "C3'" . A A 1 3 ? 0.321 40.092 11.710 1.00 10.35 ? 3 A A "C3'" 1
|
| 1275 |
+
ATOM 56 O "O3'" . A A 1 3 ? 0.677 40.834 12.905 1.00 10.97 ? 3 A A "O3'" 1
|
| 1276 |
+
ATOM 57 C "C2'" . A A 1 3 ? -0.907 39.156 11.770 1.00 9.49 ? 3 A A "C2'" 1
|
| 1277 |
+
ATOM 58 O "O2'" . A A 1 3 ? -1.886 39.898 12.517 1.00 9.21 ? 3 A A "O2'" 1
|
| 1278 |
+
ATOM 59 C "C1'" . A A 1 3 ? -1.327 39.027 10.336 1.00 7.65 ? 3 A A "C1'" 1
|
| 1279 |
+
ATOM 60 N N9 . A A 1 3 ? -0.682 37.832 9.739 1.00 6.70 ? 3 A A N9 1
|
| 1280 |
+
ATOM 61 C C8 . A A 1 3 ? 0.523 37.897 9.052 1.00 5.71 ? 3 A A C8 1
|
| 1281 |
+
ATOM 62 N N7 . A A 1 3 ? 0.960 36.702 8.753 1.00 5.58 ? 3 A A N7 1
|
| 1282 |
+
ATOM 63 C C5 . A A 1 3 ? 0.012 35.831 9.291 1.00 4.99 ? 3 A A C5 1
|
| 1283 |
+
ATOM 64 C C6 . A A 1 3 ? -0.152 34.443 9.141 1.00 4.72 ? 3 A A C6 1
|
| 1284 |
+
ATOM 65 N N6 . A A 1 3 ? 0.664 33.571 8.574 1.00 5.10 ? 3 A A N6 1
|
| 1285 |
+
ATOM 66 N N1 . A A 1 3 ? -1.260 33.926 9.798 1.00 4.60 ? 3 A A N1 1
|
| 1286 |
+
ATOM 67 C C2 . A A 1 3 ? -2.120 34.701 10.486 1.00 3.88 ? 3 A A C2 1
|
| 1287 |
+
ATOM 68 N N3 . A A 1 3 ? -2.008 35.992 10.545 1.00 5.82 ? 3 A A N3 1
|
| 1288 |
+
ATOM 69 C C4 . A A 1 3 ? -1.033 36.509 9.858 1.00 5.06 ? 3 A A C4 1
|
| 1289 |
+
ATOM 70 P P . C A 1 4 ? 1.691 40.221 13.981 1.00 10.60 ? 4 C A P 1
|
| 1290 |
+
ATOM 71 O OP1 . C A 1 4 ? 1.615 41.254 15.026 1.00 10.90 ? 4 C A OP1 1
|
| 1291 |
+
ATOM 72 O OP2 . C A 1 4 ? 2.938 39.737 13.563 1.00 10.52 ? 4 C A OP2 1
|
| 1292 |
+
ATOM 73 O "O5'" . C A 1 4 ? 0.763 39.156 14.489 1.00 10.08 ? 4 C A "O5'" 1
|
| 1293 |
+
ATOM 74 C "C5'" . C A 1 4 ? 1.163 37.994 15.235 1.00 10.36 ? 4 C A "C5'" 1
|
| 1294 |
+
ATOM 75 C "C4'" . C A 1 4 ? -0.027 37.057 15.295 1.00 9.48 ? 4 C A "C4'" 1
|
| 1295 |
+
ATOM 76 O "O4'" . C A 1 4 ? -0.356 36.638 13.951 1.00 9.65 ? 4 C A "O4'" 1
|
| 1296 |
+
ATOM 77 C "C3'" . C A 1 4 ? 0.394 35.766 16.012 1.00 9.69 ? 4 C A "C3'" 1
|
| 1297 |
+
ATOM 78 O "O3'" . C A 1 4 ? 0.277 35.928 17.446 1.00 10.39 ? 4 C A "O3'" 1
|
| 1298 |
+
ATOM 79 C "C2'" . C A 1 4 ? -0.510 34.733 15.385 1.00 8.81 ? 4 C A "C2'" 1
|
| 1299 |
+
ATOM 80 O "O2'" . C A 1 4 ? -1.733 34.830 16.042 1.00 9.42 ? 4 C A "O2'" 1
|
| 1300 |
+
ATOM 81 C "C1'" . C A 1 4 ? -0.662 35.217 13.951 1.00 7.64 ? 4 C A "C1'" 1
|
| 1301 |
+
ATOM 82 N N1 . C A 1 4 ? 0.379 34.572 13.114 1.00 6.49 ? 4 C A N1 1
|
| 1302 |
+
ATOM 83 C C2 . C A 1 4 ? 0.162 33.248 12.875 1.00 5.58 ? 4 C A C2 1
|
| 1303 |
+
ATOM 84 O O2 . C A 1 4 ? -0.800 32.635 13.324 1.00 6.89 ? 4 C A O2 1
|
| 1304 |
+
ATOM 85 N N3 . C A 1 4 ? 1.029 32.571 12.069 1.00 5.73 ? 4 C A N3 1
|
| 1305 |
+
ATOM 86 C C4 . C A 1 4 ? 2.088 33.216 11.591 1.00 5.61 ? 4 C A C4 1
|
| 1306 |
+
ATOM 87 N N4 . C A 1 4 ? 2.928 32.441 10.934 1.00 5.23 ? 4 C A N4 1
|
| 1307 |
+
ATOM 88 C C5 . C A 1 4 ? 2.288 34.604 11.800 1.00 5.30 ? 4 C A C5 1
|
| 1308 |
+
ATOM 89 C C6 . C A 1 4 ? 1.386 35.250 12.547 1.00 5.82 ? 4 C A C6 1
|
| 1309 |
+
ATOM 90 P P . U A 1 5 ? 1.474 35.379 18.312 1.00 10.23 ? 5 U A P 1
|
| 1310 |
+
ATOM 91 O OP1 . U A 1 5 ? 0.982 35.669 19.627 1.00 10.10 ? 5 U A OP1 1
|
| 1311 |
+
ATOM 92 O OP2 . U A 1 5 ? 2.799 35.605 17.894 1.00 9.43 ? 5 U A OP2 1
|
| 1312 |
+
ATOM 93 O "O5'" . U A 1 5 ? 1.240 33.765 18.044 1.00 10.71 ? 5 U A "O5'" 1
|
| 1313 |
+
ATOM 94 C "C5'" . U A 1 5 ? 0.163 32.958 18.492 1.00 9.77 ? 5 U A "C5'" 1
|
| 1314 |
+
ATOM 95 C "C4'" . U A 1 5 ? 0.266 31.538 18.014 1.00 9.28 ? 5 U A "C4'" 1
|
| 1315 |
+
ATOM 96 O "O4'" . U A 1 5 ? 0.190 31.473 16.580 1.00 9.44 ? 5 U A "O4'" 1
|
| 1316 |
+
ATOM 97 C "C3'" . U A 1 5 ? 1.509 30.763 18.372 1.00 10.23 ? 5 U A "C3'" 1
|
| 1317 |
+
ATOM 98 O "O3'" . U A 1 5 ? 1.529 30.408 19.776 1.00 11.45 ? 5 U A "O3'" 1
|
| 1318 |
+
ATOM 99 C "C2'" . U A 1 5 ? 1.450 29.633 17.356 1.00 8.89 ? 5 U A "C2'" 1
|
| 1319 |
+
ATOM 100 O "O2'" . U A 1 5 ? 0.526 28.697 17.805 1.00 8.98 ? 5 U A "O2'" 1
|
| 1320 |
+
ATOM 101 C "C1'" . U A 1 5 ? 0.905 30.311 16.102 1.00 8.04 ? 5 U A "C1'" 1
|
| 1321 |
+
ATOM 102 N N1 . U A 1 5 ? 2.002 30.795 15.295 1.00 7.20 ? 5 U A N1 1
|
| 1322 |
+
ATOM 103 C C2 . U A 1 5 ? 2.674 29.859 14.548 1.00 6.62 ? 5 U A C2 1
|
| 1323 |
+
ATOM 104 O O2 . U A 1 5 ? 2.347 28.697 14.578 1.00 7.19 ? 5 U A O2 1
|
| 1324 |
+
ATOM 105 N N3 . U A 1 5 ? 3.764 30.246 13.861 1.00 7.03 ? 5 U A N3 1
|
| 1325 |
+
ATOM 106 C C4 . U A 1 5 ? 4.203 31.570 13.891 1.00 6.95 ? 5 U A C4 1
|
| 1326 |
+
ATOM 107 O O4 . U A 1 5 ? 5.269 31.764 13.294 1.00 7.45 ? 5 U A O4 1
|
| 1327 |
+
ATOM 108 C C5 . U A 1 5 ? 3.472 32.506 14.668 1.00 6.75 ? 5 U A C5 1
|
| 1328 |
+
ATOM 109 C C6 . U A 1 5 ? 2.437 32.086 15.385 1.00 7.01 ? 5 U A C6 1
|
| 1329 |
+
ATOM 110 P P . U A 1 6 ? 2.910 29.827 20.433 1.00 12.49 ? 6 U A P 1
|
| 1330 |
+
ATOM 111 O OP1 . U A 1 6 ? 2.564 30.085 21.867 1.00 13.36 ? 6 U A OP1 1
|
| 1331 |
+
ATOM 112 O OP2 . U A 1 6 ? 4.125 30.214 19.896 1.00 12.32 ? 6 U A OP2 1
|
| 1332 |
+
ATOM 113 O "O5'" . U A 1 6 ? 2.683 28.213 20.374 1.00 11.34 ? 6 U A "O5'" 1
|
| 1333 |
+
ATOM 114 C "C5'" . U A 1 6 ? 1.659 27.373 20.911 1.00 10.43 ? 6 U A "C5'" 1
|
| 1334 |
+
ATOM 115 C "C4'" . U A 1 6 ? 2.037 25.953 20.643 1.00 10.34 ? 6 U A "C4'" 1
|
| 1335 |
+
ATOM 116 O "O4'" . U A 1 6 ? 1.941 25.727 19.238 1.00 10.31 ? 6 U A "O4'" 1
|
| 1336 |
+
ATOM 117 C "C3'" . U A 1 6 ? 3.475 25.598 20.941 1.00 9.51 ? 6 U A "C3'" 1
|
| 1337 |
+
ATOM 118 O "O3'" . U A 1 6 ? 3.783 25.372 22.315 1.00 10.95 ? 6 U A "O3'" 1
|
| 1338 |
+
ATOM 119 C "C2'" . U A 1 6 ? 3.733 24.371 20.075 1.00 9.04 ? 6 U A "C2'" 1
|
| 1339 |
+
ATOM 120 O "O2'" . U A 1 6 ? 3.008 23.338 20.732 1.00 7.12 ? 6 U A "O2'" 1
|
| 1340 |
+
ATOM 121 C "C1'" . U A 1 6 ? 2.959 24.791 18.820 1.00 8.40 ? 6 U A "C1'" 1
|
| 1341 |
+
ATOM 122 N N1 . U A 1 6 ? 3.912 25.372 17.834 1.00 7.63 ? 6 U A N1 1
|
| 1342 |
+
ATOM 123 C C2 . U A 1 6 ? 4.640 24.468 17.117 1.00 7.42 ? 6 U A C2 1
|
| 1343 |
+
ATOM 124 O O2 . U A 1 6 ? 4.509 23.274 17.416 1.00 7.28 ? 6 U A O2 1
|
| 1344 |
+
ATOM 125 N N3 . U A 1 6 ? 5.517 24.920 16.132 1.00 6.99 ? 6 U A N3 1
|
| 1345 |
+
ATOM 126 C C4 . U A 1 6 ? 5.662 26.244 15.923 1.00 7.02 ? 6 U A C4 1
|
| 1346 |
+
ATOM 127 O O4 . U A 1 6 ? 6.476 26.566 15.026 1.00 7.68 ? 6 U A O4 1
|
| 1347 |
+
ATOM 128 C C5 . U A 1 6 ? 4.913 27.147 16.669 1.00 7.40 ? 6 U A C5 1
|
| 1348 |
+
ATOM 129 C C6 . U A 1 6 ? 4.040 26.728 17.595 1.00 7.31 ? 6 U A C6 1
|
| 1349 |
+
ATOM 130 P P . C A 1 7 ? 5.223 25.759 22.943 1.00 11.47 ? 7 C A P 1
|
| 1350 |
+
ATOM 131 O OP1 . C A 1 7 ? 4.825 25.630 24.287 1.00 12.35 ? 7 C A OP1 1
|
| 1351 |
+
ATOM 132 O OP2 . C A 1 7 ? 5.879 26.986 22.495 1.00 11.49 ? 7 C A OP2 1
|
| 1352 |
+
ATOM 133 O "O5'" . C A 1 7 ? 6.126 24.501 22.525 1.00 11.00 ? 7 C A "O5'" 1
|
| 1353 |
+
ATOM 134 C "C5'" . C A 1 7 ? 5.777 23.177 22.973 1.00 11.53 ? 7 C A "C5'" 1
|
| 1354 |
+
ATOM 135 C "C4'" . C A 1 7 ? 6.661 22.273 22.196 1.00 11.20 ? 7 C A "C4'" 1
|
| 1355 |
+
ATOM 136 O "O4'" . C A 1 7 ? 6.429 22.402 20.822 1.00 11.07 ? 7 C A "O4'" 1
|
| 1356 |
+
ATOM 137 C "C3'" . C A 1 7 ? 8.171 22.531 22.226 1.00 12.00 ? 7 C A "C3'" 1
|
| 1357 |
+
ATOM 138 O "O3'" . C A 1 7 ? 8.855 22.047 23.391 1.00 14.28 ? 7 C A "O3'" 1
|
| 1358 |
+
ATOM 139 C "C2'" . C A 1 7 ? 8.678 21.789 21.001 1.00 11.48 ? 7 C A "C2'" 1
|
| 1359 |
+
ATOM 140 O "O2'" . C A 1 7 ? 8.791 20.433 21.389 1.00 10.97 ? 7 C A "O2'" 1
|
| 1360 |
+
ATOM 141 C "C1'" . C A 1 7 ? 7.564 22.047 20.015 1.00 9.64 ? 7 C A "C1'" 1
|
| 1361 |
+
ATOM 142 N N1 . C A 1 7 ? 7.933 23.242 19.209 1.00 9.68 ? 7 C A N1 1
|
| 1362 |
+
ATOM 143 C C2 . C A 1 7 ? 8.757 22.951 18.133 1.00 8.19 ? 7 C A C2 1
|
| 1363 |
+
ATOM 144 O O2 . C A 1 7 ? 9.244 21.854 17.984 1.00 8.42 ? 7 C A O2 1
|
| 1364 |
+
ATOM 145 N N3 . C A 1 7 ? 9.123 24.016 17.386 1.00 8.17 ? 7 C A N3 1
|
| 1365 |
+
ATOM 146 C C4 . C A 1 7 ? 8.689 25.275 17.625 1.00 8.04 ? 7 C A C4 1
|
| 1366 |
+
ATOM 147 N N4 . C A 1 7 ? 9.250 26.147 16.819 1.00 7.82 ? 7 C A N4 1
|
| 1367 |
+
ATOM 148 C C5 . C A 1 7 ? 7.883 25.533 18.731 1.00 9.06 ? 7 C A C5 1
|
| 1368 |
+
ATOM 149 C C6 . C A 1 7 ? 7.440 24.501 19.477 1.00 8.73 ? 7 C A C6 1
|
| 1369 |
+
ATOM 150 P P . G A 1 8 ? 10.192 22.983 23.779 1.00 14.82 ? 8 G A P 1
|
| 1370 |
+
ATOM 151 O OP1 . G A 1 8 ? 10.212 22.596 25.183 1.00 15.39 ? 8 G A OP1 1
|
| 1371 |
+
ATOM 152 O OP2 . G A 1 8 ? 10.041 24.371 23.391 1.00 15.47 ? 8 G A OP2 1
|
| 1372 |
+
ATOM 153 O "O5'" . G A 1 8 ? 11.209 22.080 23.032 1.00 15.17 ? 8 G A "O5'" 1
|
| 1373 |
+
ATOM 154 C "C5'" . G A 1 8 ? 12.310 22.822 22.495 1.00 14.35 ? 8 G A "C5'" 1
|
| 1374 |
+
ATOM 155 C "C4'" . G A 1 8 ? 12.793 21.918 21.359 1.00 13.85 ? 8 G A "C4'" 1
|
| 1375 |
+
ATOM 156 O "O4'" . G A 1 8 ? 11.835 22.112 20.314 1.00 13.41 ? 8 G A "O4'" 1
|
| 1376 |
+
ATOM 157 C "C3'" . G A 1 8 ? 14.100 22.499 20.911 1.00 13.63 ? 8 G A "C3'" 1
|
| 1377 |
+
ATOM 158 O "O3'" . G A 1 8 ? 15.136 21.757 21.569 1.00 14.73 ? 8 G A "O3'" 1
|
| 1378 |
+
ATOM 159 C "C2'" . G A 1 8 ? 14.066 22.305 19.418 1.00 12.51 ? 8 G A "C2'" 1
|
| 1379 |
+
ATOM 160 O "O2'" . G A 1 8 ? 14.382 20.950 19.238 1.00 13.19 ? 8 G A "O2'" 1
|
| 1380 |
+
ATOM 161 C "C1'" . G A 1 8 ? 12.589 22.467 19.119 1.00 11.05 ? 8 G A "C1'" 1
|
| 1381 |
+
ATOM 162 N N9 . G A 1 8 ? 12.349 23.919 18.970 1.00 9.98 ? 8 G A N9 1
|
| 1382 |
+
ATOM 163 C C8 . G A 1 8 ? 11.541 24.726 19.746 1.00 9.09 ? 8 G A C8 1
|
| 1383 |
+
ATOM 164 N N7 . G A 1 8 ? 11.672 25.985 19.448 1.00 9.19 ? 8 G A N7 1
|
| 1384 |
+
ATOM 165 C C5 . G A 1 8 ? 12.517 26.018 18.342 1.00 8.54 ? 8 G A C5 1
|
| 1385 |
+
ATOM 166 C C6 . G A 1 8 ? 12.927 27.051 17.476 1.00 8.62 ? 8 G A C6 1
|
| 1386 |
+
ATOM 167 O O6 . G A 1 8 ? 12.656 28.245 17.536 1.00 9.06 ? 8 G A O6 1
|
| 1387 |
+
ATOM 168 N N1 . G A 1 8 ? 13.912 26.663 16.610 1.00 7.94 ? 8 G A N1 1
|
| 1388 |
+
ATOM 169 C C2 . G A 1 8 ? 14.231 25.372 16.371 1.00 7.95 ? 8 G A C2 1
|
| 1389 |
+
ATOM 170 N N2 . G A 1 8 ? 15.108 25.178 15.385 1.00 8.07 ? 8 G A N2 1
|
| 1390 |
+
ATOM 171 N N3 . G A 1 8 ? 13.754 24.339 17.058 1.00 9.19 ? 8 G A N3 1
|
| 1391 |
+
ATOM 172 C C4 . G A 1 8 ? 12.954 24.726 18.044 1.00 8.79 ? 8 G A C4 1
|
| 1392 |
+
ATOM 173 P P . G A 1 9 ? 16.301 22.531 22.315 1.00 14.06 ? 9 G A P 1
|
| 1393 |
+
ATOM 174 O OP1 . G A 1 9 ? 16.919 21.337 22.913 1.00 15.41 ? 9 G A OP1 1
|
| 1394 |
+
ATOM 175 O OP2 . G A 1 9 ? 15.785 23.629 23.003 1.00 13.86 ? 9 G A OP2 1
|
| 1395 |
+
ATOM 176 O "O5'" . G A 1 9 ? 17.250 22.919 21.061 1.00 13.39 ? 9 G A "O5'" 1
|
| 1396 |
+
ATOM 177 C "C5'" . G A 1 9 ? 17.820 22.015 20.075 1.00 11.72 ? 9 G A "C5'" 1
|
| 1397 |
+
ATOM 178 C "C4'" . G A 1 9 ? 18.620 22.854 19.089 1.00 11.38 ? 9 G A "C4'" 1
|
| 1398 |
+
ATOM 179 O "O4'" . G A 1 9 ? 17.673 23.435 18.193 1.00 11.24 ? 9 G A "O4'" 1
|
| 1399 |
+
ATOM 180 C "C3'" . G A 1 9 ? 19.391 24.016 19.687 1.00 10.99 ? 9 G A "C3'" 1
|
| 1400 |
+
ATOM 181 O "O3'" . G A 1 9 ? 20.643 23.726 20.254 1.00 11.87 ? 9 G A "O3'" 1
|
| 1401 |
+
ATOM 182 C "C2'" . G A 1 9 ? 19.456 24.952 18.492 1.00 10.18 ? 9 G A "C2'" 1
|
| 1402 |
+
ATOM 183 O "O2'" . G A 1 9 ? 20.441 24.339 17.625 1.00 10.65 ? 9 G A "O2'" 1
|
| 1403 |
+
ATOM 184 C "C1'" . G A 1 9 ? 18.114 24.759 17.834 1.00 9.38 ? 9 G A "C1'" 1
|
| 1404 |
+
ATOM 185 N N9 . G A 1 9 ? 17.219 25.727 18.462 1.00 8.38 ? 9 G A N9 1
|
| 1405 |
+
ATOM 186 C C8 . G A 1 9 ? 16.195 25.469 19.328 1.00 7.66 ? 9 G A C8 1
|
| 1406 |
+
ATOM 187 N N7 . G A 1 9 ? 15.637 26.566 19.746 1.00 8.18 ? 9 G A N7 1
|
| 1407 |
+
ATOM 188 C C5 . G A 1 9 ? 16.177 27.599 18.970 1.00 7.55 ? 9 G A C5 1
|
| 1408 |
+
ATOM 189 C C6 . G A 1 9 ? 15.933 28.987 18.880 1.00 7.57 ? 9 G A C6 1
|
| 1409 |
+
ATOM 190 O O6 . G A 1 9 ? 15.061 29.665 19.418 1.00 7.74 ? 9 G A O6 1
|
| 1410 |
+
ATOM 191 N N1 . G A 1 9 ? 16.799 29.698 18.073 1.00 7.19 ? 9 G A N1 1
|
| 1411 |
+
ATOM 192 C C2 . G A 1 9 ? 17.775 29.084 17.386 1.00 7.08 ? 9 G A C2 1
|
| 1412 |
+
ATOM 193 N N2 . G A 1 9 ? 18.617 29.859 16.669 1.00 6.71 ? 9 G A N2 1
|
| 1413 |
+
ATOM 194 N N3 . G A 1 9 ? 17.984 27.793 17.416 1.00 7.84 ? 9 G A N3 1
|
| 1414 |
+
ATOM 195 C C4 . G A 1 9 ? 17.193 27.083 18.223 1.00 7.56 ? 9 G A C4 1
|
| 1415 |
+
ATOM 196 P P . U A 1 10 ? 21.326 24.630 21.419 1.00 12.04 ? 10 U A P 1
|
| 1416 |
+
ATOM 197 O OP1 . U A 1 10 ? 22.427 23.726 21.598 1.00 12.39 ? 10 U A OP1 1
|
| 1417 |
+
ATOM 198 O OP2 . U A 1 10 ? 20.394 25.082 22.375 1.00 12.24 ? 10 U A OP2 1
|
| 1418 |
+
ATOM 199 O "O5'" . U A 1 10 ? 21.904 25.889 20.643 1.00 10.94 ? 10 U A "O5'" 1
|
| 1419 |
+
ATOM 200 C "C5'" . U A 1 10 ? 22.881 25.792 19.567 1.00 10.51 ? 10 U A "C5'" 1
|
| 1420 |
+
ATOM 201 C "C4'" . U A 1 10 ? 23.164 27.147 18.940 1.00 10.37 ? 10 U A "C4'" 1
|
| 1421 |
+
ATOM 202 O "O4'" . U A 1 10 ? 21.930 27.696 18.402 1.00 10.37 ? 10 U A "O4'" 1
|
| 1422 |
+
ATOM 203 C "C3'" . U A 1 10 ? 23.607 28.180 19.955 1.00 10.59 ? 10 U A "C3'" 1
|
| 1423 |
+
ATOM 204 O "O3'" . U A 1 10 ? 24.983 28.051 20.344 1.00 12.10 ? 10 U A "O3'" 1
|
| 1424 |
+
ATOM 205 C "C2'" . U A 1 10 ? 23.245 29.439 19.209 1.00 9.81 ? 10 U A "C2'" 1
|
| 1425 |
+
ATOM 206 O "O2'" . U A 1 10 ? 24.254 29.536 18.253 1.00 9.05 ? 10 U A "O2'" 1
|
| 1426 |
+
ATOM 207 C "C1'" . U A 1 10 ? 21.941 29.117 18.551 1.00 8.32 ? 10 U A "C1'" 1
|
| 1427 |
+
ATOM 208 N N1 . U A 1 10 ? 20.730 29.439 19.358 1.00 7.71 ? 10 U A N1 1
|
| 1428 |
+
ATOM 209 C C2 . U A 1 10 ? 20.347 30.763 19.358 1.00 7.16 ? 10 U A C2 1
|
| 1429 |
+
ATOM 210 O O2 . U A 1 10 ? 20.989 31.634 18.820 1.00 8.20 ? 10 U A O2 1
|
| 1430 |
+
ATOM 211 N N3 . U A 1 10 ? 19.216 31.150 20.105 1.00 6.64 ? 10 U A N3 1
|
| 1431 |
+
ATOM 212 C C4 . U A 1 10 ? 18.494 30.214 20.702 1.00 6.70 ? 10 U A C4 1
|
| 1432 |
+
ATOM 213 O O4 . U A 1 10 ? 17.540 30.731 21.359 1.00 7.57 ? 10 U A O4 1
|
| 1433 |
+
ATOM 214 C C5 . U A 1 10 ? 18.947 28.891 20.822 1.00 6.55 ? 10 U A C5 1
|
| 1434 |
+
ATOM 215 C C6 . U A 1 10 ? 20.058 28.536 20.105 1.00 6.85 ? 10 U A C6 1
|
| 1435 |
+
ATOM 216 P P . C A 1 11 ? 25.320 28.439 21.897 1.00 12.50 ? 11 C A P 1
|
| 1436 |
+
ATOM 217 O OP1 . C A 1 11 ? 26.677 27.922 21.927 1.00 13.03 ? 11 C A OP1 1
|
| 1437 |
+
ATOM 218 O OP2 . C A 1 11 ? 24.293 28.084 22.823 1.00 12.88 ? 11 C A OP2 1
|
| 1438 |
+
ATOM 219 O "O5'" . C A 1 11 ? 25.417 30.085 21.867 1.00 12.00 ? 11 C A "O5'" 1
|
| 1439 |
+
ATOM 220 C "C5'" . C A 1 11 ? 26.255 30.763 20.882 1.00 11.80 ? 11 C A "C5'" 1
|
| 1440 |
+
ATOM 221 C "C4'" . C A 1 11 ? 25.834 32.215 20.882 1.00 12.01 ? 11 C A "C4'" 1
|
| 1441 |
+
ATOM 222 O "O4'" . C A 1 11 ? 24.503 32.248 20.374 1.00 12.08 ? 11 C A "O4'" 1
|
| 1442 |
+
ATOM 223 C "C3'" . C A 1 11 ? 25.763 32.958 22.196 1.00 12.10 ? 11 C A "C3'" 1
|
| 1443 |
+
ATOM 224 O "O3'" . C A 1 11 ? 27.014 33.345 22.764 1.00 13.91 ? 11 C A "O3'" 1
|
| 1444 |
+
ATOM 225 C "C2'" . C A 1 11 ? 24.804 34.088 21.867 1.00 11.77 ? 11 C A "C2'" 1
|
| 1445 |
+
ATOM 226 O "O2'" . C A 1 11 ? 25.595 34.959 21.061 1.00 11.31 ? 11 C A "O2'" 1
|
| 1446 |
+
ATOM 227 C "C1'" . C A 1 11 ? 23.861 33.410 20.911 1.00 10.91 ? 11 C A "C1'" 1
|
| 1447 |
+
ATOM 228 N N1 . C A 1 11 ? 22.667 32.990 21.748 1.00 10.98 ? 11 C A N1 1
|
| 1448 |
+
ATOM 229 C C2 . C A 1 11 ? 21.823 33.991 22.136 1.00 9.81 ? 11 C A C2 1
|
| 1449 |
+
ATOM 230 O O2 . C A 1 11 ? 22.034 35.153 21.778 1.00 11.03 ? 11 C A O2 1
|
| 1450 |
+
ATOM 231 N N3 . C A 1 11 ? 20.695 33.668 22.823 1.00 9.92 ? 11 C A N3 1
|
| 1451 |
+
ATOM 232 C C4 . C A 1 11 ? 20.463 32.377 23.212 1.00 9.92 ? 11 C A C4 1
|
| 1452 |
+
ATOM 233 N N4 . C A 1 11 ? 19.300 32.054 23.839 1.00 9.66 ? 11 C A N4 1
|
| 1453 |
+
ATOM 234 C C5 . C A 1 11 ? 21.381 31.376 22.883 1.00 9.94 ? 11 C A C5 1
|
| 1454 |
+
ATOM 235 C C6 . C A 1 11 ? 22.526 31.731 22.226 1.00 9.97 ? 11 C A C6 1
|
| 1455 |
+
ATOM 236 P P . C A 1 12 ? 27.254 33.216 24.347 1.00 14.86 ? 12 C A P 1
|
| 1456 |
+
ATOM 237 O OP1 . C A 1 12 ? 28.742 33.378 24.078 1.00 15.09 ? 12 C A OP1 1
|
| 1457 |
+
ATOM 238 O OP2 . C A 1 12 ? 26.845 31.860 24.825 1.00 14.63 ? 12 C A OP2 1
|
| 1458 |
+
ATOM 239 O "O5'" . C A 1 12 ? 26.543 34.378 25.094 1.00 13.05 ? 12 C A "O5'" 1
|
| 1459 |
+
ATOM 240 C "C5'" . C A 1 12 ? 26.988 35.734 25.004 1.00 13.06 ? 12 C A "C5'" 1
|
| 1460 |
+
ATOM 241 C "C4'" . C A 1 12 ? 25.855 36.670 25.422 1.00 13.06 ? 12 C A "C4'" 1
|
| 1461 |
+
ATOM 242 O "O4'" . C A 1 12 ? 24.625 36.380 24.825 1.00 13.30 ? 12 C A "O4'" 1
|
| 1462 |
+
ATOM 243 C "C3'" . C A 1 12 ? 25.527 36.606 26.886 1.00 13.10 ? 12 C A "C3'" 1
|
| 1463 |
+
ATOM 244 O "O3'" . C A 1 12 ? 26.533 37.090 27.752 1.00 13.84 ? 12 C A "O3'" 1
|
| 1464 |
+
ATOM 245 C "C2'" . C A 1 12 ? 24.146 37.316 26.946 1.00 12.76 ? 12 C A "C2'" 1
|
| 1465 |
+
ATOM 246 O "O2'" . C A 1 12 ? 24.508 38.704 26.976 1.00 13.38 ? 12 C A "O2'" 1
|
| 1466 |
+
ATOM 247 C "C1'" . C A 1 12 ? 23.546 36.831 25.661 1.00 11.01 ? 12 C A "C1'" 1
|
| 1467 |
+
ATOM 248 N N1 . C A 1 12 ? 22.631 35.702 25.930 1.00 10.38 ? 12 C A N1 1
|
| 1468 |
+
ATOM 249 C C2 . C A 1 12 ? 21.398 36.057 26.438 1.00 9.03 ? 12 C A C2 1
|
| 1469 |
+
ATOM 250 O O2 . C A 1 12 ? 21.065 37.219 26.587 1.00 10.15 ? 12 C A O2 1
|
| 1470 |
+
ATOM 251 N N3 . C A 1 12 ? 20.522 35.056 26.707 1.00 8.60 ? 12 C A N3 1
|
| 1471 |
+
ATOM 252 C C4 . C A 1 12 ? 20.859 33.765 26.498 1.00 8.80 ? 12 C A C4 1
|
| 1472 |
+
ATOM 253 N N4 . C A 1 12 ? 19.876 32.958 26.976 1.00 9.06 ? 12 C A N4 1
|
| 1473 |
+
ATOM 254 C C5 . C A 1 12 ? 22.148 33.378 26.020 1.00 9.33 ? 12 C A C5 1
|
| 1474 |
+
ATOM 255 C C6 . C A 1 12 ? 22.968 34.378 25.721 1.00 9.43 ? 12 C A C6 1
|
| 1475 |
+
HETATM 256 O O . HOH B 2 . ? 6.843 22.983 14.608 1.00 11.70 ? 13 HOH A O 1
|
| 1476 |
+
HETATM 257 O O . HOH B 2 . ? 6.253 28.600 20.194 1.00 18.22 ? 14 HOH A O 1
|
| 1477 |
+
HETATM 258 O O . HOH B 2 . ? 3.216 36.638 21.479 0.77 32.41 ? 15 HOH A O 1
|
| 1478 |
+
HETATM 259 O O . HOH B 2 . ? 8.713 26.631 22.823 0.90 31.53 ? 16 HOH A O 1
|
| 1479 |
+
HETATM 260 O O . HOH B 2 . ? 11.149 25.889 26.259 0.81 40.25 ? 17 HOH A O 1
|
| 1480 |
+
HETATM 261 O O . HOH B 2 . ? 3.225 32.958 0.538 1.00 38.23 ? 18 HOH A O 1
|
| 1481 |
+
HETATM 262 O O . HOH B 2 . ? -3.269 38.252 14.728 1.00 19.74 ? 19 HOH A O 1
|
| 1482 |
+
HETATM 263 O O . HOH B 2 . ? 3.886 20.982 20.075 1.00 14.93 ? 20 HOH A O 1
|
| 1483 |
+
HETATM 264 O O . HOH B 2 . ? 3.590 38.510 18.133 1.00 16.07 ? 21 HOH A O 1
|
| 1484 |
+
HETATM 265 O O . HOH B 2 . ? 0.471 26.534 16.341 0.91 13.36 ? 22 HOH A O 1
|
| 1485 |
+
HETATM 266 O O . HOH B 2 . ? 6.674 33.862 11.382 1.00 25.11 ? 23 HOH A O 1
|
| 1486 |
+
HETATM 267 O O . HOH B 2 . ? 4.240 35.992 15.325 0.50 34.42 ? 24 HOH A O 1
|
| 1487 |
+
HETATM 268 O O . HOH B 2 . ? 9.579 18.690 19.209 0.92 38.37 ? 25 HOH A O 1
|
| 1488 |
+
HETATM 269 O O . HOH B 2 . ? 13.965 26.147 21.987 1.00 27.66 ? 26 HOH A O 1
|
| 1489 |
+
HETATM 270 O O . HOH B 2 . ? 17.817 25.985 22.943 0.99 20.57 ? 27 HOH A O 1
|
| 1490 |
+
HETATM 271 O O . HOH B 2 . ? 21.181 27.922 23.391 1.00 26.92 ? 28 HOH A O 1
|
| 1491 |
+
HETATM 272 O O . HOH B 2 . ? 5.173 30.569 17.177 1.00 16.29 ? 29 HOH A O 1
|
| 1492 |
+
HETATM 273 O O . HOH B 2 . ? 7.261 29.117 14.668 1.00 25.19 ? 30 HOH A O 1
|
| 1493 |
+
HETATM 274 O O . HOH B 2 . ? 9.206 28.568 11.979 1.00 38.23 ? 31 HOH A O 1
|
| 1494 |
+
HETATM 275 O O . HOH B 2 . ? 21.264 29.794 26.796 1.00 30.64 ? 32 HOH A O 1
|
| 1495 |
+
HETATM 276 O O . HOH B 2 . ? 11.318 19.723 25.960 0.93 28.99 ? 33 HOH A O 1
|
| 1496 |
+
HETATM 277 O O . HOH B 2 . ? -0.390 42.836 14.937 0.73 26.43 ? 34 HOH A O 1
|
| 1497 |
+
HETATM 278 O O . HOH B 2 . ? 3.750 37.542 12.009 0.91 29.65 ? 35 HOH A O 1
|
| 1498 |
+
HETATM 279 O O . HOH B 2 . ? 10.339 27.987 20.374 0.67 28.58 ? 36 HOH A O 1
|
| 1499 |
+
HETATM 280 O O . HOH B 2 . ? 19.655 28.697 24.705 1.00 32.93 ? 37 HOH A O 1
|
| 1500 |
+
HETATM 281 O O . HOH B 2 . ? 1.842 32.538 4.839 0.85 40.82 ? 38 HOH A O 1
|
| 1501 |
+
HETATM 282 O O . HOH B 2 . ? 8.759 20.627 14.937 0.50 30.44 ? 39 HOH A O 1
|
| 1502 |
+
HETATM 283 O O . HOH B 2 . ? 5.203 39.252 15.206 0.93 30.46 ? 40 HOH A O 1
|
| 1503 |
+
HETATM 284 O O . HOH B 2 . ? 12.902 29.213 20.762 0.50 35.67 ? 41 HOH A O 1
|
| 1504 |
+
HETATM 285 O O . HOH B 2 . ? 5.850 20.691 17.027 0.78 31.23 ? 42 HOH A O 1
|
| 1505 |
+
HETATM 286 O O . HOH B 2 . ? -2.108 29.246 19.776 0.99 35.53 ? 43 HOH A O 1
|
| 1506 |
+
HETATM 287 O O . HOH B 2 . ? 19.036 22.209 24.825 1.00 45.58 ? 44 HOH A O 1
|
| 1507 |
+
HETATM 288 O O . HOH B 2 . ? -4.009 37.057 12.487 0.84 28.88 ? 45 HOH A O 1
|
| 1508 |
+
HETATM 289 O O . HOH B 2 . ? -3.567 36.541 16.699 1.00 40.18 ? 46 HOH A O 1
|
| 1509 |
+
HETATM 290 O O . HOH B 2 . ? 17.637 18.690 21.330 1.00 45.93 ? 47 HOH A O 1
|
| 1510 |
+
HETATM 291 O O . HOH B 2 . ? 15.879 29.859 23.032 1.00 50.42 ? 48 HOH A O 1
|
| 1511 |
+
HETATM 292 O O . HOH B 2 . ? 24.549 30.020 25.153 0.64 27.66 ? 49 HOH A O 1
|
| 1512 |
+
HETATM 293 O O . HOH B 2 . ? -3.512 34.507 19.209 0.51 20.57 ? 50 HOH A O 1
|
| 1513 |
+
HETATM 294 O O . HOH B 2 . ? 8.513 32.506 11.710 0.49 16.29 ? 51 HOH A O 1
|
| 1514 |
+
HETATM 295 O O . HOH B 2 . ? 25.387 34.540 17.834 0.42 25.19 ? 52 HOH A O 1
|
| 1515 |
+
HETATM 296 O O . HOH B 2 . ? 21.544 29.568 14.936 0.50 38.23 ? 53 HOH A O 1
|
| 1516 |
+
HETATM 297 O O . HOH B 2 . ? 24.521 32.022 17.207 1.00 35.93 ? 54 HOH A O 1
|
| 1517 |
+
HETATM 298 O O . HOH B 2 . ? 3.685 35.702 7.916 0.74 31.93 ? 55 HOH A O 1
|
| 1518 |
+
HETATM 299 O O . HOH B 2 . ? 12.245 16.882 16.639 0.56 26.43 ? 56 HOH A O 1
|
| 1519 |
+
HETATM 300 O O . HOH B 2 . ? -0.904 41.028 1.852 1.00 30.40 ? 57 HOH A O 1
|
| 1520 |
+
HETATM 301 O O . HOH B 2 . ? 0.000 44.417 0.000 0.50 30.31 ? 58 HOH A O 1
|
| 1521 |
+
HETATM 302 O O . HOH B 2 . ? -3.825 45.127 1.703 1.00 30.56 ? 59 HOH A O 1
|
| 1522 |
+
#
|
structures/2nvq.cif
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structures/2rkj.cif
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structures/2zh9.cif
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structures/3cw1.cif
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structures/3czw.cif
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|
| 1 |
+
data_3CZW
|
| 2 |
+
#
|
| 3 |
+
_entry.id 3CZW
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.389
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 3CZW pdb_00003czw 10.2210/pdb3czw/pdb
|
| 15 |
+
NDB AR0098 ? ?
|
| 16 |
+
RCSB RCSB047415 ? ?
|
| 17 |
+
WWPDB D_1000047415 ? ?
|
| 18 |
+
#
|
| 19 |
+
loop_
|
| 20 |
+
_pdbx_audit_revision_history.ordinal
|
| 21 |
+
_pdbx_audit_revision_history.data_content_type
|
| 22 |
+
_pdbx_audit_revision_history.major_revision
|
| 23 |
+
_pdbx_audit_revision_history.minor_revision
|
| 24 |
+
_pdbx_audit_revision_history.revision_date
|
| 25 |
+
1 'Structure model' 1 0 2008-09-09
|
| 26 |
+
2 'Structure model' 1 1 2011-07-13
|
| 27 |
+
3 'Structure model' 1 2 2017-10-25
|
| 28 |
+
4 'Structure model' 1 3 2024-02-21
|
| 29 |
+
5 'Structure model' 1 4 2024-04-03
|
| 30 |
+
#
|
| 31 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 32 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 33 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 34 |
+
_pdbx_audit_revision_details.provider repository
|
| 35 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 36 |
+
_pdbx_audit_revision_details.description ?
|
| 37 |
+
_pdbx_audit_revision_details.details ?
|
| 38 |
+
#
|
| 39 |
+
loop_
|
| 40 |
+
_pdbx_audit_revision_group.ordinal
|
| 41 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 42 |
+
_pdbx_audit_revision_group.data_content_type
|
| 43 |
+
_pdbx_audit_revision_group.group
|
| 44 |
+
1 2 'Structure model' 'Version format compliance'
|
| 45 |
+
2 3 'Structure model' 'Refinement description'
|
| 46 |
+
3 4 'Structure model' 'Data collection'
|
| 47 |
+
4 4 'Structure model' 'Database references'
|
| 48 |
+
5 4 'Structure model' 'Derived calculations'
|
| 49 |
+
6 5 'Structure model' 'Refinement description'
|
| 50 |
+
#
|
| 51 |
+
loop_
|
| 52 |
+
_pdbx_audit_revision_category.ordinal
|
| 53 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 54 |
+
_pdbx_audit_revision_category.data_content_type
|
| 55 |
+
_pdbx_audit_revision_category.category
|
| 56 |
+
1 3 'Structure model' software
|
| 57 |
+
2 4 'Structure model' chem_comp_atom
|
| 58 |
+
3 4 'Structure model' chem_comp_bond
|
| 59 |
+
4 4 'Structure model' database_2
|
| 60 |
+
5 4 'Structure model' diffrn_source
|
| 61 |
+
6 4 'Structure model' struct_site
|
| 62 |
+
7 5 'Structure model' pdbx_initial_refinement_model
|
| 63 |
+
#
|
| 64 |
+
loop_
|
| 65 |
+
_pdbx_audit_revision_item.ordinal
|
| 66 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 67 |
+
_pdbx_audit_revision_item.data_content_type
|
| 68 |
+
_pdbx_audit_revision_item.item
|
| 69 |
+
1 3 'Structure model' '_software.name'
|
| 70 |
+
2 4 'Structure model' '_database_2.pdbx_DOI'
|
| 71 |
+
3 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 72 |
+
4 4 'Structure model' '_diffrn_source.pdbx_synchrotron_site'
|
| 73 |
+
5 4 'Structure model' '_struct_site.pdbx_auth_asym_id'
|
| 74 |
+
6 4 'Structure model' '_struct_site.pdbx_auth_comp_id'
|
| 75 |
+
7 4 'Structure model' '_struct_site.pdbx_auth_seq_id'
|
| 76 |
+
#
|
| 77 |
+
_pdbx_database_status.entry_id 3CZW
|
| 78 |
+
_pdbx_database_status.status_code REL
|
| 79 |
+
_pdbx_database_status.status_code_sf REL
|
| 80 |
+
_pdbx_database_status.deposit_site RCSB
|
| 81 |
+
_pdbx_database_status.process_site RCSB
|
| 82 |
+
_pdbx_database_status.recvd_initial_deposition_date 2008-04-30
|
| 83 |
+
_pdbx_database_status.SG_entry N
|
| 84 |
+
_pdbx_database_status.status_code_mr ?
|
| 85 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 86 |
+
_pdbx_database_status.status_code_cs ?
|
| 87 |
+
_pdbx_database_status.methods_development_category ?
|
| 88 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 89 |
+
#
|
| 90 |
+
_pdbx_database_related.db_name PDB
|
| 91 |
+
_pdbx_database_related.db_id 3D0M
|
| 92 |
+
_pdbx_database_related.details 'The same molecule in different crystal form'
|
| 93 |
+
_pdbx_database_related.content_type unspecified
|
| 94 |
+
#
|
| 95 |
+
loop_
|
| 96 |
+
_audit_author.name
|
| 97 |
+
_audit_author.pdbx_ordinal
|
| 98 |
+
'Rypniewski, W.' 1
|
| 99 |
+
'Adamiak, D.A.' 2
|
| 100 |
+
'Milecki, J.' 3
|
| 101 |
+
'Adamiak, R.W.' 4
|
| 102 |
+
#
|
| 103 |
+
_citation.id primary
|
| 104 |
+
_citation.title
|
| 105 |
+
'Noncanonical G(syn)-G(anti) base pairs stabilized by sulphate anions in two X-ray structures of the (GUGGUCUGAUGAGGCC) RNA duplex.'
|
| 106 |
+
_citation.journal_abbrev Rna
|
| 107 |
+
_citation.journal_volume 14
|
| 108 |
+
_citation.page_first 1845
|
| 109 |
+
_citation.page_last 1851
|
| 110 |
+
_citation.year 2008
|
| 111 |
+
_citation.journal_id_ASTM RNARFU
|
| 112 |
+
_citation.country UK
|
| 113 |
+
_citation.journal_id_ISSN 1355-8382
|
| 114 |
+
_citation.journal_id_CSD 2122
|
| 115 |
+
_citation.book_publisher ?
|
| 116 |
+
_citation.pdbx_database_id_PubMed 18658118
|
| 117 |
+
_citation.pdbx_database_id_DOI 10.1261/rna.1164308
|
| 118 |
+
#
|
| 119 |
+
loop_
|
| 120 |
+
_citation_author.citation_id
|
| 121 |
+
_citation_author.name
|
| 122 |
+
_citation_author.ordinal
|
| 123 |
+
_citation_author.identifier_ORCID
|
| 124 |
+
primary 'Rypniewski, W.' 1 ?
|
| 125 |
+
primary 'Adamiak, D.A.' 2 ?
|
| 126 |
+
primary 'Milecki, J.' 3 ?
|
| 127 |
+
primary 'Adamiak, R.W.' 4 ?
|
| 128 |
+
#
|
| 129 |
+
loop_
|
| 130 |
+
_entity.id
|
| 131 |
+
_entity.type
|
| 132 |
+
_entity.src_method
|
| 133 |
+
_entity.pdbx_description
|
| 134 |
+
_entity.formula_weight
|
| 135 |
+
_entity.pdbx_number_of_molecules
|
| 136 |
+
_entity.pdbx_ec
|
| 137 |
+
_entity.pdbx_mutation
|
| 138 |
+
_entity.pdbx_fragment
|
| 139 |
+
_entity.details
|
| 140 |
+
1 polymer syn
|
| 141 |
+
;RNA (5'-R(*G*UP*GP*GP*UP*CP*UP*GP*AP*UP*GP*AP*GP*GP*CP*C)-3')
|
| 142 |
+
;
|
| 143 |
+
5170.103 1 ? ? 'duplex formed by the shorter strands of hammerhead ribozyme' ?
|
| 144 |
+
2 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ?
|
| 145 |
+
3 water nat water 18.015 69 ? ? ? ?
|
| 146 |
+
#
|
| 147 |
+
_entity_poly.entity_id 1
|
| 148 |
+
_entity_poly.type polyribonucleotide
|
| 149 |
+
_entity_poly.nstd_linkage no
|
| 150 |
+
_entity_poly.nstd_monomer no
|
| 151 |
+
_entity_poly.pdbx_seq_one_letter_code GUGGUCUGAUGAGGCC
|
| 152 |
+
_entity_poly.pdbx_seq_one_letter_code_can GUGGUCUGAUGAGGCC
|
| 153 |
+
_entity_poly.pdbx_strand_id X
|
| 154 |
+
_entity_poly.pdbx_target_identifier ?
|
| 155 |
+
#
|
| 156 |
+
loop_
|
| 157 |
+
_pdbx_entity_nonpoly.entity_id
|
| 158 |
+
_pdbx_entity_nonpoly.name
|
| 159 |
+
_pdbx_entity_nonpoly.comp_id
|
| 160 |
+
2 'SULFATE ION' SO4
|
| 161 |
+
3 water HOH
|
| 162 |
+
#
|
| 163 |
+
loop_
|
| 164 |
+
_entity_poly_seq.entity_id
|
| 165 |
+
_entity_poly_seq.num
|
| 166 |
+
_entity_poly_seq.mon_id
|
| 167 |
+
_entity_poly_seq.hetero
|
| 168 |
+
1 1 G n
|
| 169 |
+
1 2 U n
|
| 170 |
+
1 3 G n
|
| 171 |
+
1 4 G n
|
| 172 |
+
1 5 U n
|
| 173 |
+
1 6 C n
|
| 174 |
+
1 7 U n
|
| 175 |
+
1 8 G n
|
| 176 |
+
1 9 A n
|
| 177 |
+
1 10 U n
|
| 178 |
+
1 11 G n
|
| 179 |
+
1 12 A n
|
| 180 |
+
1 13 G n
|
| 181 |
+
1 14 G n
|
| 182 |
+
1 15 C n
|
| 183 |
+
1 16 C n
|
| 184 |
+
#
|
| 185 |
+
loop_
|
| 186 |
+
_chem_comp.id
|
| 187 |
+
_chem_comp.type
|
| 188 |
+
_chem_comp.mon_nstd_flag
|
| 189 |
+
_chem_comp.name
|
| 190 |
+
_chem_comp.pdbx_synonyms
|
| 191 |
+
_chem_comp.formula
|
| 192 |
+
_chem_comp.formula_weight
|
| 193 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 194 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 195 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 196 |
+
HOH non-polymer . WATER ? 'H2 O' 18.015
|
| 197 |
+
SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063
|
| 198 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 199 |
+
#
|
| 200 |
+
loop_
|
| 201 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 202 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 203 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 204 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 205 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 206 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 207 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 208 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 209 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 210 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 211 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 212 |
+
_pdbx_poly_seq_scheme.hetero
|
| 213 |
+
A 1 1 G 1 1 ? ? ? X . n
|
| 214 |
+
A 1 2 U 2 2 2 U U X . n
|
| 215 |
+
A 1 3 G 3 3 3 G G X . n
|
| 216 |
+
A 1 4 G 4 4 4 G G X . n
|
| 217 |
+
A 1 5 U 5 5 5 U U X . n
|
| 218 |
+
A 1 6 C 6 6 6 C C X . n
|
| 219 |
+
A 1 7 U 7 7 7 U U X . n
|
| 220 |
+
A 1 8 G 8 8 8 G G X . n
|
| 221 |
+
A 1 9 A 9 9 9 A A X . n
|
| 222 |
+
A 1 10 U 10 10 10 U U X . n
|
| 223 |
+
A 1 11 G 11 11 11 G G X . n
|
| 224 |
+
A 1 12 A 12 12 12 A A X . n
|
| 225 |
+
A 1 13 G 13 13 13 G G X . n
|
| 226 |
+
A 1 14 G 14 14 14 G G X . n
|
| 227 |
+
A 1 15 C 15 15 15 C C X . n
|
| 228 |
+
A 1 16 C 16 16 16 C C X . n
|
| 229 |
+
#
|
| 230 |
+
loop_
|
| 231 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 232 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 233 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 234 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 235 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 236 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 237 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 238 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 239 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 240 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 241 |
+
B 2 SO4 1 501 501 SO4 SO4 X .
|
| 242 |
+
C 3 HOH 1 502 1 HOH HOH X .
|
| 243 |
+
C 3 HOH 2 503 2 HOH HOH X .
|
| 244 |
+
C 3 HOH 3 504 3 HOH HOH X .
|
| 245 |
+
C 3 HOH 4 505 4 HOH HOH X .
|
| 246 |
+
C 3 HOH 5 506 5 HOH HOH X .
|
| 247 |
+
C 3 HOH 6 507 6 HOH HOH X .
|
| 248 |
+
C 3 HOH 7 508 7 HOH HOH X .
|
| 249 |
+
C 3 HOH 8 509 8 HOH HOH X .
|
| 250 |
+
C 3 HOH 9 510 9 HOH HOH X .
|
| 251 |
+
C 3 HOH 10 511 10 HOH HOH X .
|
| 252 |
+
C 3 HOH 11 512 11 HOH HOH X .
|
| 253 |
+
C 3 HOH 12 513 12 HOH HOH X .
|
| 254 |
+
C 3 HOH 13 514 13 HOH HOH X .
|
| 255 |
+
C 3 HOH 14 515 14 HOH HOH X .
|
| 256 |
+
C 3 HOH 15 516 15 HOH HOH X .
|
| 257 |
+
C 3 HOH 16 517 16 HOH HOH X .
|
| 258 |
+
C 3 HOH 17 518 17 HOH HOH X .
|
| 259 |
+
C 3 HOH 18 519 18 HOH HOH X .
|
| 260 |
+
C 3 HOH 19 520 19 HOH HOH X .
|
| 261 |
+
C 3 HOH 20 521 20 HOH HOH X .
|
| 262 |
+
C 3 HOH 21 522 21 HOH HOH X .
|
| 263 |
+
C 3 HOH 22 523 22 HOH HOH X .
|
| 264 |
+
C 3 HOH 23 524 23 HOH HOH X .
|
| 265 |
+
C 3 HOH 24 525 24 HOH HOH X .
|
| 266 |
+
C 3 HOH 25 526 25 HOH HOH X .
|
| 267 |
+
C 3 HOH 26 527 26 HOH HOH X .
|
| 268 |
+
C 3 HOH 27 528 27 HOH HOH X .
|
| 269 |
+
C 3 HOH 28 529 28 HOH HOH X .
|
| 270 |
+
C 3 HOH 29 530 29 HOH HOH X .
|
| 271 |
+
C 3 HOH 30 531 30 HOH HOH X .
|
| 272 |
+
C 3 HOH 31 532 31 HOH HOH X .
|
| 273 |
+
C 3 HOH 32 533 32 HOH HOH X .
|
| 274 |
+
C 3 HOH 33 534 33 HOH HOH X .
|
| 275 |
+
C 3 HOH 34 535 34 HOH HOH X .
|
| 276 |
+
C 3 HOH 35 536 35 HOH HOH X .
|
| 277 |
+
C 3 HOH 36 537 36 HOH HOH X .
|
| 278 |
+
C 3 HOH 37 538 37 HOH HOH X .
|
| 279 |
+
C 3 HOH 38 539 38 HOH HOH X .
|
| 280 |
+
C 3 HOH 39 540 39 HOH HOH X .
|
| 281 |
+
C 3 HOH 40 541 40 HOH HOH X .
|
| 282 |
+
C 3 HOH 41 542 41 HOH HOH X .
|
| 283 |
+
C 3 HOH 42 543 42 HOH HOH X .
|
| 284 |
+
C 3 HOH 43 544 43 HOH HOH X .
|
| 285 |
+
C 3 HOH 44 545 44 HOH HOH X .
|
| 286 |
+
C 3 HOH 45 546 45 HOH HOH X .
|
| 287 |
+
C 3 HOH 46 547 46 HOH HOH X .
|
| 288 |
+
C 3 HOH 47 548 47 HOH HOH X .
|
| 289 |
+
C 3 HOH 48 549 48 HOH HOH X .
|
| 290 |
+
C 3 HOH 49 550 49 HOH HOH X .
|
| 291 |
+
C 3 HOH 50 551 50 HOH HOH X .
|
| 292 |
+
C 3 HOH 51 552 51 HOH HOH X .
|
| 293 |
+
C 3 HOH 52 553 52 HOH HOH X .
|
| 294 |
+
C 3 HOH 53 554 53 HOH HOH X .
|
| 295 |
+
C 3 HOH 54 555 54 HOH HOH X .
|
| 296 |
+
C 3 HOH 55 556 55 HOH HOH X .
|
| 297 |
+
C 3 HOH 56 557 56 HOH HOH X .
|
| 298 |
+
C 3 HOH 57 558 57 HOH HOH X .
|
| 299 |
+
C 3 HOH 58 559 58 HOH HOH X .
|
| 300 |
+
C 3 HOH 59 560 59 HOH HOH X .
|
| 301 |
+
C 3 HOH 60 561 60 HOH HOH X .
|
| 302 |
+
C 3 HOH 61 562 61 HOH HOH X .
|
| 303 |
+
C 3 HOH 62 563 62 HOH HOH X .
|
| 304 |
+
C 3 HOH 63 564 63 HOH HOH X .
|
| 305 |
+
C 3 HOH 64 565 64 HOH HOH X .
|
| 306 |
+
C 3 HOH 65 566 65 HOH HOH X .
|
| 307 |
+
C 3 HOH 66 567 66 HOH HOH X .
|
| 308 |
+
C 3 HOH 67 568 67 HOH HOH X .
|
| 309 |
+
C 3 HOH 68 569 68 HOH HOH X .
|
| 310 |
+
C 3 HOH 69 570 69 HOH HOH X .
|
| 311 |
+
#
|
| 312 |
+
loop_
|
| 313 |
+
_pdbx_unobs_or_zero_occ_atoms.id
|
| 314 |
+
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num
|
| 315 |
+
_pdbx_unobs_or_zero_occ_atoms.polymer_flag
|
| 316 |
+
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag
|
| 317 |
+
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id
|
| 318 |
+
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id
|
| 319 |
+
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id
|
| 320 |
+
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
|
| 321 |
+
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id
|
| 322 |
+
_pdbx_unobs_or_zero_occ_atoms.label_alt_id
|
| 323 |
+
_pdbx_unobs_or_zero_occ_atoms.label_asym_id
|
| 324 |
+
_pdbx_unobs_or_zero_occ_atoms.label_comp_id
|
| 325 |
+
_pdbx_unobs_or_zero_occ_atoms.label_seq_id
|
| 326 |
+
_pdbx_unobs_or_zero_occ_atoms.label_atom_id
|
| 327 |
+
1 1 Y 1 X U 2 ? P ? A U 2 P
|
| 328 |
+
2 1 Y 1 X U 2 ? OP1 ? A U 2 OP1
|
| 329 |
+
3 1 Y 1 X U 2 ? OP2 ? A U 2 OP2
|
| 330 |
+
4 1 Y 1 X U 2 ? "O5'" ? A U 2 "O5'"
|
| 331 |
+
5 1 Y 1 X U 2 ? "C5'" ? A U 2 "C5'"
|
| 332 |
+
6 1 Y 1 X U 2 ? "C4'" ? A U 2 "C4'"
|
| 333 |
+
7 1 Y 1 X U 2 ? "O4'" ? A U 2 "O4'"
|
| 334 |
+
8 1 Y 1 X U 2 ? "C3'" ? A U 2 "C3'"
|
| 335 |
+
9 1 Y 1 X U 2 ? "C2'" ? A U 2 "C2'"
|
| 336 |
+
10 1 Y 1 X U 2 ? "O2'" ? A U 2 "O2'"
|
| 337 |
+
11 1 Y 1 X U 2 ? "C1'" ? A U 2 "C1'"
|
| 338 |
+
12 1 Y 1 X U 2 ? N1 ? A U 2 N1
|
| 339 |
+
13 1 Y 1 X U 2 ? C2 ? A U 2 C2
|
| 340 |
+
14 1 Y 1 X U 2 ? O2 ? A U 2 O2
|
| 341 |
+
15 1 Y 1 X U 2 ? N3 ? A U 2 N3
|
| 342 |
+
16 1 Y 1 X U 2 ? C4 ? A U 2 C4
|
| 343 |
+
17 1 Y 1 X U 2 ? O4 ? A U 2 O4
|
| 344 |
+
18 1 Y 1 X U 2 ? C5 ? A U 2 C5
|
| 345 |
+
19 1 Y 1 X U 2 ? C6 ? A U 2 C6
|
| 346 |
+
#
|
| 347 |
+
loop_
|
| 348 |
+
_software.name
|
| 349 |
+
_software.classification
|
| 350 |
+
_software.version
|
| 351 |
+
_software.citation_id
|
| 352 |
+
_software.pdbx_ordinal
|
| 353 |
+
MAR345 'data collection' . ? 1
|
| 354 |
+
MOLREP phasing . ? 2
|
| 355 |
+
REFMAC refinement 5.2 ? 3
|
| 356 |
+
DENZO 'data reduction' . ? 4
|
| 357 |
+
SCALEPACK 'data scaling' . ? 5
|
| 358 |
+
#
|
| 359 |
+
_cell.entry_id 3CZW
|
| 360 |
+
_cell.length_a 56.035
|
| 361 |
+
_cell.length_b 31.863
|
| 362 |
+
_cell.length_c 39.804
|
| 363 |
+
_cell.angle_alpha 90.00
|
| 364 |
+
_cell.angle_beta 134.35
|
| 365 |
+
_cell.angle_gamma 90.00
|
| 366 |
+
_cell.Z_PDB 4
|
| 367 |
+
_cell.pdbx_unique_axis ?
|
| 368 |
+
_cell.length_a_esd ?
|
| 369 |
+
_cell.length_b_esd ?
|
| 370 |
+
_cell.length_c_esd ?
|
| 371 |
+
_cell.angle_alpha_esd ?
|
| 372 |
+
_cell.angle_beta_esd ?
|
| 373 |
+
_cell.angle_gamma_esd ?
|
| 374 |
+
#
|
| 375 |
+
_symmetry.entry_id 3CZW
|
| 376 |
+
_symmetry.space_group_name_H-M 'C 1 2 1'
|
| 377 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 378 |
+
_symmetry.Int_Tables_number 5
|
| 379 |
+
_symmetry.cell_setting ?
|
| 380 |
+
_symmetry.space_group_name_Hall ?
|
| 381 |
+
#
|
| 382 |
+
_exptl.entry_id 3CZW
|
| 383 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 384 |
+
_exptl.crystals_number 1
|
| 385 |
+
#
|
| 386 |
+
_exptl_crystal.id 1
|
| 387 |
+
_exptl_crystal.density_meas ?
|
| 388 |
+
_exptl_crystal.density_Matthews 2.46
|
| 389 |
+
_exptl_crystal.density_percent_sol 49.95
|
| 390 |
+
_exptl_crystal.description ?
|
| 391 |
+
_exptl_crystal.F_000 ?
|
| 392 |
+
_exptl_crystal.preparation ?
|
| 393 |
+
#
|
| 394 |
+
_exptl_crystal_grow.crystal_id 1
|
| 395 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP'
|
| 396 |
+
_exptl_crystal_grow.temp 293
|
| 397 |
+
_exptl_crystal_grow.temp_details ?
|
| 398 |
+
_exptl_crystal_grow.pH 6.0
|
| 399 |
+
_exptl_crystal_grow.pdbx_pH_range ?
|
| 400 |
+
_exptl_crystal_grow.pdbx_details
|
| 401 |
+
'1.3 M lithium sulphate, 100 mM cacodylate buffer, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K'
|
| 402 |
+
#
|
| 403 |
+
loop_
|
| 404 |
+
_exptl_crystal_grow_comp.crystal_id
|
| 405 |
+
_exptl_crystal_grow_comp.id
|
| 406 |
+
_exptl_crystal_grow_comp.sol_id
|
| 407 |
+
_exptl_crystal_grow_comp.name
|
| 408 |
+
_exptl_crystal_grow_comp.conc
|
| 409 |
+
_exptl_crystal_grow_comp.volume
|
| 410 |
+
_exptl_crystal_grow_comp.details
|
| 411 |
+
1 1 1 Li2SO4 ? ? ?
|
| 412 |
+
1 2 1 cacodylate ? ? ?
|
| 413 |
+
1 3 2 Li2SO4 ? ? ?
|
| 414 |
+
#
|
| 415 |
+
_diffrn.id 1
|
| 416 |
+
_diffrn.ambient_temp 100
|
| 417 |
+
_diffrn.ambient_temp_details ?
|
| 418 |
+
_diffrn.crystal_id 1
|
| 419 |
+
#
|
| 420 |
+
_diffrn_detector.diffrn_id 1
|
| 421 |
+
_diffrn_detector.detector CCD
|
| 422 |
+
_diffrn_detector.type 'MAR CCD 165 mm'
|
| 423 |
+
_diffrn_detector.pdbx_collection_date 2004-01-26
|
| 424 |
+
_diffrn_detector.details ?
|
| 425 |
+
#
|
| 426 |
+
_diffrn_radiation.diffrn_id 1
|
| 427 |
+
_diffrn_radiation.wavelength_id 1
|
| 428 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 429 |
+
_diffrn_radiation.monochromator 'Si 111'
|
| 430 |
+
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
|
| 431 |
+
_diffrn_radiation.pdbx_scattering_type x-ray
|
| 432 |
+
#
|
| 433 |
+
_diffrn_radiation_wavelength.id 1
|
| 434 |
+
_diffrn_radiation_wavelength.wavelength 0.8115
|
| 435 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 436 |
+
#
|
| 437 |
+
_diffrn_source.diffrn_id 1
|
| 438 |
+
_diffrn_source.source SYNCHROTRON
|
| 439 |
+
_diffrn_source.type 'EMBL/DESY, HAMBURG BEAMLINE X11'
|
| 440 |
+
_diffrn_source.pdbx_synchrotron_site 'EMBL/DESY, HAMBURG'
|
| 441 |
+
_diffrn_source.pdbx_synchrotron_beamline X11
|
| 442 |
+
_diffrn_source.pdbx_wavelength ?
|
| 443 |
+
_diffrn_source.pdbx_wavelength_list 0.8115
|
| 444 |
+
#
|
| 445 |
+
_reflns.entry_id 3CZW
|
| 446 |
+
_reflns.observed_criterion_sigma_I 0
|
| 447 |
+
_reflns.observed_criterion_sigma_F 0
|
| 448 |
+
_reflns.d_resolution_low 20
|
| 449 |
+
_reflns.d_resolution_high 1.40
|
| 450 |
+
_reflns.number_obs 9874
|
| 451 |
+
_reflns.number_all 9874
|
| 452 |
+
_reflns.percent_possible_obs 98.5
|
| 453 |
+
_reflns.pdbx_Rmerge_I_obs ?
|
| 454 |
+
_reflns.pdbx_Rsym_value 0.082
|
| 455 |
+
_reflns.pdbx_netI_over_sigmaI 19
|
| 456 |
+
_reflns.B_iso_Wilson_estimate 18.00
|
| 457 |
+
_reflns.pdbx_redundancy 6.4
|
| 458 |
+
_reflns.R_free_details ?
|
| 459 |
+
_reflns.pdbx_chi_squared ?
|
| 460 |
+
_reflns.pdbx_scaling_rejects ?
|
| 461 |
+
_reflns.pdbx_diffrn_id 1
|
| 462 |
+
_reflns.pdbx_ordinal 1
|
| 463 |
+
#
|
| 464 |
+
_reflns_shell.d_res_high 1.40
|
| 465 |
+
_reflns_shell.d_res_low 1.42
|
| 466 |
+
_reflns_shell.percent_possible_all 98.9
|
| 467 |
+
_reflns_shell.Rmerge_I_obs ?
|
| 468 |
+
_reflns_shell.pdbx_Rsym_value 0.760
|
| 469 |
+
_reflns_shell.meanI_over_sigI_obs 2.5
|
| 470 |
+
_reflns_shell.pdbx_redundancy 5.3
|
| 471 |
+
_reflns_shell.percent_possible_obs ?
|
| 472 |
+
_reflns_shell.number_unique_all ?
|
| 473 |
+
_reflns_shell.number_measured_all ?
|
| 474 |
+
_reflns_shell.number_measured_obs ?
|
| 475 |
+
_reflns_shell.number_unique_obs ?
|
| 476 |
+
_reflns_shell.pdbx_chi_squared ?
|
| 477 |
+
_reflns_shell.pdbx_diffrn_id ?
|
| 478 |
+
_reflns_shell.pdbx_ordinal 1
|
| 479 |
+
#
|
| 480 |
+
_refine.entry_id 3CZW
|
| 481 |
+
_refine.ls_number_reflns_obs 9686
|
| 482 |
+
_refine.ls_number_reflns_all 9686
|
| 483 |
+
_refine.pdbx_ls_sigma_I ?
|
| 484 |
+
_refine.pdbx_ls_sigma_F 0.
|
| 485 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 486 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 487 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 488 |
+
_refine.ls_d_res_low 20.00
|
| 489 |
+
_refine.ls_d_res_high 1.40
|
| 490 |
+
_refine.ls_percent_reflns_obs 100.00
|
| 491 |
+
_refine.ls_R_factor_obs 0.19782
|
| 492 |
+
_refine.ls_R_factor_all ?
|
| 493 |
+
_refine.ls_R_factor_R_work 0.197
|
| 494 |
+
_refine.ls_R_factor_R_free 0.227
|
| 495 |
+
_refine.ls_R_factor_R_free_error ?
|
| 496 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 497 |
+
_refine.ls_percent_reflns_R_free 1.9
|
| 498 |
+
_refine.ls_number_reflns_R_free 187
|
| 499 |
+
_refine.ls_number_parameters ?
|
| 500 |
+
_refine.ls_number_restraints ?
|
| 501 |
+
_refine.occupancy_min ?
|
| 502 |
+
_refine.occupancy_max ?
|
| 503 |
+
_refine.correlation_coeff_Fo_to_Fc 0.972
|
| 504 |
+
_refine.correlation_coeff_Fo_to_Fc_free 0.952
|
| 505 |
+
_refine.B_iso_mean 26.537
|
| 506 |
+
_refine.aniso_B[1][1] 1.57
|
| 507 |
+
_refine.aniso_B[2][2] -1.27
|
| 508 |
+
_refine.aniso_B[3][3] 3.54
|
| 509 |
+
_refine.aniso_B[1][2] 0.00
|
| 510 |
+
_refine.aniso_B[1][3] 2.74
|
| 511 |
+
_refine.aniso_B[2][3] 0.00
|
| 512 |
+
_refine.solvent_model_details 'BABINET MODEL WITH MASK'
|
| 513 |
+
_refine.solvent_model_param_ksol ?
|
| 514 |
+
_refine.solvent_model_param_bsol ?
|
| 515 |
+
_refine.pdbx_solvent_vdw_probe_radii 1.20
|
| 516 |
+
_refine.pdbx_solvent_ion_probe_radii 0.80
|
| 517 |
+
_refine.pdbx_solvent_shrinkage_radii 0.80
|
| 518 |
+
_refine.pdbx_ls_cross_valid_method THROUGHOUT
|
| 519 |
+
_refine.details ?
|
| 520 |
+
_refine.pdbx_starting_model 'a short duplex GUCU:CGGA taken from NDB: RR0033'
|
| 521 |
+
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
|
| 522 |
+
_refine.pdbx_isotropic_thermal_model isotropic
|
| 523 |
+
_refine.pdbx_stereochemistry_target_values 'ENGH & HUBER'
|
| 524 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 525 |
+
_refine.pdbx_R_Free_selection_details RANDOM
|
| 526 |
+
_refine.pdbx_overall_ESU_R 0.060
|
| 527 |
+
_refine.pdbx_overall_ESU_R_Free 0.065
|
| 528 |
+
_refine.overall_SU_ML 0.076
|
| 529 |
+
_refine.pdbx_overall_phase_error ?
|
| 530 |
+
_refine.overall_SU_B 2.392
|
| 531 |
+
_refine.ls_redundancy_reflns_obs ?
|
| 532 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 533 |
+
_refine.overall_SU_R_free ?
|
| 534 |
+
_refine.ls_wR_factor_R_free ?
|
| 535 |
+
_refine.ls_wR_factor_R_work ?
|
| 536 |
+
_refine.overall_FOM_free_R_set ?
|
| 537 |
+
_refine.overall_FOM_work_R_set ?
|
| 538 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 539 |
+
_refine.pdbx_diffrn_id 1
|
| 540 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 541 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 542 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 543 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 544 |
+
#
|
| 545 |
+
_refine_analyze.entry_id 3CZW
|
| 546 |
+
_refine_analyze.Luzzati_coordinate_error_obs ?
|
| 547 |
+
_refine_analyze.Luzzati_sigma_a_obs ?
|
| 548 |
+
_refine_analyze.Luzzati_d_res_low_obs ?
|
| 549 |
+
_refine_analyze.Luzzati_coordinate_error_free 0.060
|
| 550 |
+
_refine_analyze.Luzzati_sigma_a_free 0.065
|
| 551 |
+
_refine_analyze.Luzzati_d_res_low_free ?
|
| 552 |
+
_refine_analyze.number_disordered_residues ?
|
| 553 |
+
_refine_analyze.occupancy_sum_hydrogen ?
|
| 554 |
+
_refine_analyze.occupancy_sum_non_hydrogen ?
|
| 555 |
+
_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 556 |
+
#
|
| 557 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 558 |
+
_refine_hist.cycle_id LAST
|
| 559 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 560 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 303
|
| 561 |
+
_refine_hist.pdbx_number_atoms_ligand 5
|
| 562 |
+
_refine_hist.number_atoms_solvent 69
|
| 563 |
+
_refine_hist.number_atoms_total 377
|
| 564 |
+
_refine_hist.d_res_high 1.40
|
| 565 |
+
_refine_hist.d_res_low 20.00
|
| 566 |
+
#
|
| 567 |
+
loop_
|
| 568 |
+
_refine_ls_restr.type
|
| 569 |
+
_refine_ls_restr.dev_ideal
|
| 570 |
+
_refine_ls_restr.dev_ideal_target
|
| 571 |
+
_refine_ls_restr.weight
|
| 572 |
+
_refine_ls_restr.number
|
| 573 |
+
_refine_ls_restr.pdbx_refine_id
|
| 574 |
+
_refine_ls_restr.pdbx_restraint_function
|
| 575 |
+
r_bond_refined_d 0.019 0.021 ? 342 'X-RAY DIFFRACTION' ?
|
| 576 |
+
r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 577 |
+
r_angle_refined_deg 2.483 3.000 ? 533 'X-RAY DIFFRACTION' ?
|
| 578 |
+
r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 579 |
+
r_dihedral_angle_1_deg ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 580 |
+
r_dihedral_angle_2_deg ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 581 |
+
r_dihedral_angle_3_deg ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 582 |
+
r_dihedral_angle_4_deg ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 583 |
+
r_chiral_restr 0.104 0.200 ? 70 'X-RAY DIFFRACTION' ?
|
| 584 |
+
r_gen_planes_refined 0.016 0.020 ? 148 'X-RAY DIFFRACTION' ?
|
| 585 |
+
r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 586 |
+
r_nbd_refined 0.180 0.200 ? 124 'X-RAY DIFFRACTION' ?
|
| 587 |
+
r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 588 |
+
r_nbtor_refined 0.284 0.200 ? 227 'X-RAY DIFFRACTION' ?
|
| 589 |
+
r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 590 |
+
r_xyhbond_nbd_refined 0.173 0.200 ? 43 'X-RAY DIFFRACTION' ?
|
| 591 |
+
r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 592 |
+
r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 593 |
+
r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 594 |
+
r_symmetry_vdw_refined 0.124 0.200 ? 30 'X-RAY DIFFRACTION' ?
|
| 595 |
+
r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 596 |
+
r_symmetry_hbond_refined 0.141 0.200 ? 21 'X-RAY DIFFRACTION' ?
|
| 597 |
+
r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 598 |
+
r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 599 |
+
r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 600 |
+
r_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 601 |
+
r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 602 |
+
r_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 603 |
+
r_scbond_it 1.959 3.000 ? 496 'X-RAY DIFFRACTION' ?
|
| 604 |
+
r_scangle_it 2.826 4.500 ? 533 'X-RAY DIFFRACTION' ?
|
| 605 |
+
r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 606 |
+
r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 607 |
+
r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 608 |
+
#
|
| 609 |
+
_refine_ls_shell.pdbx_total_number_of_bins_used 20
|
| 610 |
+
_refine_ls_shell.d_res_high 1.400
|
| 611 |
+
_refine_ls_shell.d_res_low 1.436
|
| 612 |
+
_refine_ls_shell.number_reflns_R_work 712
|
| 613 |
+
_refine_ls_shell.R_factor_R_work 0.356
|
| 614 |
+
_refine_ls_shell.percent_reflns_obs 100.00
|
| 615 |
+
_refine_ls_shell.R_factor_R_free 0.313
|
| 616 |
+
_refine_ls_shell.R_factor_R_free_error ?
|
| 617 |
+
_refine_ls_shell.percent_reflns_R_free ?
|
| 618 |
+
_refine_ls_shell.number_reflns_R_free 15
|
| 619 |
+
_refine_ls_shell.number_reflns_all ?
|
| 620 |
+
_refine_ls_shell.R_factor_all ?
|
| 621 |
+
_refine_ls_shell.redundancy_reflns_obs ?
|
| 622 |
+
_refine_ls_shell.number_reflns_obs ?
|
| 623 |
+
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 624 |
+
#
|
| 625 |
+
_struct.entry_id 3CZW
|
| 626 |
+
_struct.title 'X-ray structures of the (GUGGUCUGAUGAGGCC) RNA duplex'
|
| 627 |
+
_struct.pdbx_model_details ?
|
| 628 |
+
_struct.pdbx_CASP_flag N
|
| 629 |
+
_struct.pdbx_model_type_details ?
|
| 630 |
+
#
|
| 631 |
+
_struct_keywords.entry_id 3CZW
|
| 632 |
+
_struct_keywords.pdbx_keywords RNA
|
| 633 |
+
_struct_keywords.text 'RNA, duplex, base pairing, G(syn) - G(anti), sulphate anion'
|
| 634 |
+
#
|
| 635 |
+
loop_
|
| 636 |
+
_struct_asym.id
|
| 637 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 638 |
+
_struct_asym.pdbx_modified
|
| 639 |
+
_struct_asym.entity_id
|
| 640 |
+
_struct_asym.details
|
| 641 |
+
A N N 1 ?
|
| 642 |
+
B N N 2 ?
|
| 643 |
+
C N N 3 ?
|
| 644 |
+
#
|
| 645 |
+
_struct_ref.id 1
|
| 646 |
+
_struct_ref.db_name PDB
|
| 647 |
+
_struct_ref.db_code 3CZW
|
| 648 |
+
_struct_ref.pdbx_db_accession 3CZW
|
| 649 |
+
_struct_ref.entity_id 1
|
| 650 |
+
_struct_ref.pdbx_align_begin ?
|
| 651 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 652 |
+
_struct_ref.pdbx_db_isoform ?
|
| 653 |
+
#
|
| 654 |
+
_struct_ref_seq.align_id 1
|
| 655 |
+
_struct_ref_seq.ref_id 1
|
| 656 |
+
_struct_ref_seq.pdbx_PDB_id_code 3CZW
|
| 657 |
+
_struct_ref_seq.pdbx_strand_id X
|
| 658 |
+
_struct_ref_seq.seq_align_beg 1
|
| 659 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 660 |
+
_struct_ref_seq.seq_align_end 16
|
| 661 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 662 |
+
_struct_ref_seq.pdbx_db_accession 3CZW
|
| 663 |
+
_struct_ref_seq.db_align_beg 1
|
| 664 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 665 |
+
_struct_ref_seq.db_align_end 16
|
| 666 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 667 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 668 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 16
|
| 669 |
+
#
|
| 670 |
+
_pdbx_struct_assembly.id 1
|
| 671 |
+
_pdbx_struct_assembly.details author_and_software_defined_assembly
|
| 672 |
+
_pdbx_struct_assembly.method_details PISA
|
| 673 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 674 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 675 |
+
#
|
| 676 |
+
loop_
|
| 677 |
+
_pdbx_struct_assembly_prop.biol_id
|
| 678 |
+
_pdbx_struct_assembly_prop.type
|
| 679 |
+
_pdbx_struct_assembly_prop.value
|
| 680 |
+
_pdbx_struct_assembly_prop.details
|
| 681 |
+
1 'ABSA (A^2)' 1630 ?
|
| 682 |
+
1 MORE -32 ?
|
| 683 |
+
1 'SSA (A^2)' 5360 ?
|
| 684 |
+
#
|
| 685 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 686 |
+
_pdbx_struct_assembly_gen.oper_expression 1,2
|
| 687 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B,C
|
| 688 |
+
#
|
| 689 |
+
loop_
|
| 690 |
+
_pdbx_struct_oper_list.id
|
| 691 |
+
_pdbx_struct_oper_list.type
|
| 692 |
+
_pdbx_struct_oper_list.name
|
| 693 |
+
_pdbx_struct_oper_list.symmetry_operation
|
| 694 |
+
_pdbx_struct_oper_list.matrix[1][1]
|
| 695 |
+
_pdbx_struct_oper_list.matrix[1][2]
|
| 696 |
+
_pdbx_struct_oper_list.matrix[1][3]
|
| 697 |
+
_pdbx_struct_oper_list.vector[1]
|
| 698 |
+
_pdbx_struct_oper_list.matrix[2][1]
|
| 699 |
+
_pdbx_struct_oper_list.matrix[2][2]
|
| 700 |
+
_pdbx_struct_oper_list.matrix[2][3]
|
| 701 |
+
_pdbx_struct_oper_list.vector[2]
|
| 702 |
+
_pdbx_struct_oper_list.matrix[3][1]
|
| 703 |
+
_pdbx_struct_oper_list.matrix[3][2]
|
| 704 |
+
_pdbx_struct_oper_list.matrix[3][3]
|
| 705 |
+
_pdbx_struct_oper_list.vector[3]
|
| 706 |
+
1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
|
| 707 |
+
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
|
| 708 |
+
2 'crystal symmetry operation' 2_555 -x,y,-z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
|
| 709 |
+
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000
|
| 710 |
+
#
|
| 711 |
+
_struct_biol.id 1
|
| 712 |
+
_struct_biol.details ?
|
| 713 |
+
#
|
| 714 |
+
loop_
|
| 715 |
+
_struct_conn.id
|
| 716 |
+
_struct_conn.conn_type_id
|
| 717 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 718 |
+
_struct_conn.pdbx_PDB_id
|
| 719 |
+
_struct_conn.ptnr1_label_asym_id
|
| 720 |
+
_struct_conn.ptnr1_label_comp_id
|
| 721 |
+
_struct_conn.ptnr1_label_seq_id
|
| 722 |
+
_struct_conn.ptnr1_label_atom_id
|
| 723 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 724 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 725 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 726 |
+
_struct_conn.ptnr1_symmetry
|
| 727 |
+
_struct_conn.ptnr2_label_asym_id
|
| 728 |
+
_struct_conn.ptnr2_label_comp_id
|
| 729 |
+
_struct_conn.ptnr2_label_seq_id
|
| 730 |
+
_struct_conn.ptnr2_label_atom_id
|
| 731 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 732 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 733 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 734 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 735 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 736 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 737 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 738 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 739 |
+
_struct_conn.ptnr2_symmetry
|
| 740 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 741 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 742 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 743 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 744 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 745 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 746 |
+
_struct_conn.details
|
| 747 |
+
_struct_conn.pdbx_dist_value
|
| 748 |
+
_struct_conn.pdbx_value_order
|
| 749 |
+
_struct_conn.pdbx_role
|
| 750 |
+
hydrog1 hydrog ? ? A G 3 N1 ? ? ? 1_555 A C 16 N3 ? ? X G 3 X C 16 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 751 |
+
hydrog2 hydrog ? ? A G 3 N2 ? ? ? 1_555 A C 16 O2 ? ? X G 3 X C 16 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 752 |
+
hydrog3 hydrog ? ? A G 3 O6 ? ? ? 1_555 A C 16 N4 ? ? X G 3 X C 16 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 753 |
+
hydrog4 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 15 N3 ? ? X G 4 X C 15 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 754 |
+
hydrog5 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 15 O2 ? ? X G 4 X C 15 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 755 |
+
hydrog6 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 15 N4 ? ? X G 4 X C 15 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 756 |
+
hydrog7 hydrog ? ? A U 5 N3 ? ? ? 1_555 A G 14 O6 ? ? X U 5 X G 14 2_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 757 |
+
hydrog8 hydrog ? ? A U 5 O2 ? ? ? 1_555 A G 14 N1 ? ? X U 5 X G 14 2_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 758 |
+
hydrog9 hydrog ? ? A C 6 N3 ? ? ? 1_555 A G 13 N1 ? ? X C 6 X G 13 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 759 |
+
hydrog10 hydrog ? ? A C 6 N4 ? ? ? 1_555 A G 13 O6 ? ? X C 6 X G 13 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 760 |
+
hydrog11 hydrog ? ? A C 6 O2 ? ? ? 1_555 A G 13 N2 ? ? X C 6 X G 13 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 761 |
+
hydrog12 hydrog ? ? A U 7 N3 ? ? ? 1_555 A A 12 N1 ? ? X U 7 X A 12 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 762 |
+
hydrog13 hydrog ? ? A U 7 O4 ? ? ? 1_555 A A 12 N6 ? ? X U 7 X A 12 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 763 |
+
hydrog14 hydrog ? ? A G 8 N7 ? ? ? 1_555 A G 11 N2 ? ? X G 8 X G 11 2_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
|
| 764 |
+
hydrog15 hydrog ? ? A G 8 O6 ? ? ? 1_555 A G 11 N1 ? ? X G 8 X G 11 2_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
|
| 765 |
+
hydrog16 hydrog ? ? A A 9 N1 ? ? ? 1_555 A U 10 N3 ? ? X A 9 X U 10 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 766 |
+
hydrog17 hydrog ? ? A A 9 N6 ? ? ? 1_555 A U 10 O4 ? ? X A 9 X U 10 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 767 |
+
hydrog18 hydrog ? ? A U 10 N3 ? ? ? 1_555 A A 9 N1 ? ? X U 10 X A 9 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 768 |
+
hydrog19 hydrog ? ? A U 10 O4 ? ? ? 1_555 A A 9 N6 ? ? X U 10 X A 9 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 769 |
+
hydrog20 hydrog ? ? A G 11 N1 ? ? ? 1_555 A G 8 O6 ? ? X G 11 X G 8 2_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
|
| 770 |
+
hydrog21 hydrog ? ? A G 11 N2 ? ? ? 1_555 A G 8 N7 ? ? X G 11 X G 8 2_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
|
| 771 |
+
hydrog22 hydrog ? ? A A 12 N1 ? ? ? 1_555 A U 7 N3 ? ? X A 12 X U 7 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 772 |
+
hydrog23 hydrog ? ? A A 12 N6 ? ? ? 1_555 A U 7 O4 ? ? X A 12 X U 7 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 773 |
+
hydrog24 hydrog ? ? A G 13 N1 ? ? ? 1_555 A C 6 N3 ? ? X G 13 X C 6 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 774 |
+
hydrog25 hydrog ? ? A G 13 N2 ? ? ? 1_555 A C 6 O2 ? ? X G 13 X C 6 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 775 |
+
hydrog26 hydrog ? ? A G 13 O6 ? ? ? 1_555 A C 6 N4 ? ? X G 13 X C 6 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 776 |
+
hydrog27 hydrog ? ? A G 14 N1 ? ? ? 1_555 A U 5 O2 ? ? X G 14 X U 5 2_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 777 |
+
hydrog28 hydrog ? ? A G 14 O6 ? ? ? 1_555 A U 5 N3 ? ? X G 14 X U 5 2_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 778 |
+
hydrog29 hydrog ? ? A C 15 N3 ? ? ? 1_555 A G 4 N1 ? ? X C 15 X G 4 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 779 |
+
hydrog30 hydrog ? ? A C 15 N4 ? ? ? 1_555 A G 4 O6 ? ? X C 15 X G 4 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 780 |
+
hydrog31 hydrog ? ? A C 15 O2 ? ? ? 1_555 A G 4 N2 ? ? X C 15 X G 4 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 781 |
+
hydrog32 hydrog ? ? A C 16 N3 ? ? ? 1_555 A G 3 N1 ? ? X C 16 X G 3 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 782 |
+
hydrog33 hydrog ? ? A C 16 N4 ? ? ? 1_555 A G 3 O6 ? ? X C 16 X G 3 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 783 |
+
hydrog34 hydrog ? ? A C 16 O2 ? ? ? 1_555 A G 3 N2 ? ? X C 16 X G 3 2_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 784 |
+
#
|
| 785 |
+
_struct_conn_type.id hydrog
|
| 786 |
+
_struct_conn_type.criteria ?
|
| 787 |
+
_struct_conn_type.reference ?
|
| 788 |
+
#
|
| 789 |
+
_struct_site.id AC1
|
| 790 |
+
_struct_site.pdbx_evidence_code Software
|
| 791 |
+
_struct_site.pdbx_auth_asym_id X
|
| 792 |
+
_struct_site.pdbx_auth_comp_id SO4
|
| 793 |
+
_struct_site.pdbx_auth_seq_id 501
|
| 794 |
+
_struct_site.pdbx_auth_ins_code ?
|
| 795 |
+
_struct_site.pdbx_num_residues 3
|
| 796 |
+
_struct_site.details 'BINDING SITE FOR RESIDUE SO4 X 501'
|
| 797 |
+
#
|
| 798 |
+
loop_
|
| 799 |
+
_struct_site_gen.id
|
| 800 |
+
_struct_site_gen.site_id
|
| 801 |
+
_struct_site_gen.pdbx_num_res
|
| 802 |
+
_struct_site_gen.label_comp_id
|
| 803 |
+
_struct_site_gen.label_asym_id
|
| 804 |
+
_struct_site_gen.label_seq_id
|
| 805 |
+
_struct_site_gen.pdbx_auth_ins_code
|
| 806 |
+
_struct_site_gen.auth_comp_id
|
| 807 |
+
_struct_site_gen.auth_asym_id
|
| 808 |
+
_struct_site_gen.auth_seq_id
|
| 809 |
+
_struct_site_gen.label_atom_id
|
| 810 |
+
_struct_site_gen.label_alt_id
|
| 811 |
+
_struct_site_gen.symmetry
|
| 812 |
+
_struct_site_gen.details
|
| 813 |
+
1 AC1 3 HOH C . ? HOH X 538 . ? 1_555 ?
|
| 814 |
+
2 AC1 3 HOH C . ? HOH X 539 . ? 1_555 ?
|
| 815 |
+
3 AC1 3 HOH C . ? HOH X 568 . ? 1_555 ?
|
| 816 |
+
#
|
| 817 |
+
_pdbx_validate_close_contact.id 1
|
| 818 |
+
_pdbx_validate_close_contact.PDB_model_num 1
|
| 819 |
+
_pdbx_validate_close_contact.auth_atom_id_1 O1
|
| 820 |
+
_pdbx_validate_close_contact.auth_asym_id_1 X
|
| 821 |
+
_pdbx_validate_close_contact.auth_comp_id_1 SO4
|
| 822 |
+
_pdbx_validate_close_contact.auth_seq_id_1 501
|
| 823 |
+
_pdbx_validate_close_contact.PDB_ins_code_1 ?
|
| 824 |
+
_pdbx_validate_close_contact.label_alt_id_1 ?
|
| 825 |
+
_pdbx_validate_close_contact.auth_atom_id_2 O
|
| 826 |
+
_pdbx_validate_close_contact.auth_asym_id_2 X
|
| 827 |
+
_pdbx_validate_close_contact.auth_comp_id_2 HOH
|
| 828 |
+
_pdbx_validate_close_contact.auth_seq_id_2 568
|
| 829 |
+
_pdbx_validate_close_contact.PDB_ins_code_2 ?
|
| 830 |
+
_pdbx_validate_close_contact.label_alt_id_2 ?
|
| 831 |
+
_pdbx_validate_close_contact.dist 2.19
|
| 832 |
+
#
|
| 833 |
+
loop_
|
| 834 |
+
_pdbx_validate_rmsd_bond.id
|
| 835 |
+
_pdbx_validate_rmsd_bond.PDB_model_num
|
| 836 |
+
_pdbx_validate_rmsd_bond.auth_atom_id_1
|
| 837 |
+
_pdbx_validate_rmsd_bond.auth_asym_id_1
|
| 838 |
+
_pdbx_validate_rmsd_bond.auth_comp_id_1
|
| 839 |
+
_pdbx_validate_rmsd_bond.auth_seq_id_1
|
| 840 |
+
_pdbx_validate_rmsd_bond.PDB_ins_code_1
|
| 841 |
+
_pdbx_validate_rmsd_bond.label_alt_id_1
|
| 842 |
+
_pdbx_validate_rmsd_bond.auth_atom_id_2
|
| 843 |
+
_pdbx_validate_rmsd_bond.auth_asym_id_2
|
| 844 |
+
_pdbx_validate_rmsd_bond.auth_comp_id_2
|
| 845 |
+
_pdbx_validate_rmsd_bond.auth_seq_id_2
|
| 846 |
+
_pdbx_validate_rmsd_bond.PDB_ins_code_2
|
| 847 |
+
_pdbx_validate_rmsd_bond.label_alt_id_2
|
| 848 |
+
_pdbx_validate_rmsd_bond.bond_value
|
| 849 |
+
_pdbx_validate_rmsd_bond.bond_target_value
|
| 850 |
+
_pdbx_validate_rmsd_bond.bond_deviation
|
| 851 |
+
_pdbx_validate_rmsd_bond.bond_standard_deviation
|
| 852 |
+
_pdbx_validate_rmsd_bond.linker_flag
|
| 853 |
+
1 1 "O5'" X U 5 ? ? "C5'" X U 5 ? ? 1.366 1.420 -0.054 0.009 N
|
| 854 |
+
2 1 P X G 11 ? ? "O5'" X G 11 ? ? 1.671 1.593 0.078 0.010 N
|
| 855 |
+
3 1 "O5'" X G 11 ? ? "C5'" X G 11 ? ? 1.363 1.420 -0.057 0.009 N
|
| 856 |
+
4 1 C6 X G 11 ? ? N1 X G 11 ? ? 1.435 1.391 0.044 0.007 N
|
| 857 |
+
5 1 C5 X G 11 ? ? N7 X G 11 ? ? 1.434 1.388 0.046 0.006 N
|
| 858 |
+
6 1 "O5'" X A 12 ? ? "C5'" X A 12 ? ? 1.356 1.420 -0.064 0.009 N
|
| 859 |
+
7 1 N7 X G 14 ? ? C8 X G 14 ? ? 1.345 1.305 0.040 0.006 N
|
| 860 |
+
#
|
| 861 |
+
loop_
|
| 862 |
+
_pdbx_validate_rmsd_angle.id
|
| 863 |
+
_pdbx_validate_rmsd_angle.PDB_model_num
|
| 864 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1
|
| 865 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1
|
| 866 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1
|
| 867 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1
|
| 868 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1
|
| 869 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1
|
| 870 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2
|
| 871 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2
|
| 872 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2
|
| 873 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2
|
| 874 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2
|
| 875 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2
|
| 876 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3
|
| 877 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3
|
| 878 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3
|
| 879 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3
|
| 880 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3
|
| 881 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3
|
| 882 |
+
_pdbx_validate_rmsd_angle.angle_value
|
| 883 |
+
_pdbx_validate_rmsd_angle.angle_target_value
|
| 884 |
+
_pdbx_validate_rmsd_angle.angle_deviation
|
| 885 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation
|
| 886 |
+
_pdbx_validate_rmsd_angle.linker_flag
|
| 887 |
+
1 1 C4 X G 4 ? ? C5 X G 4 ? ? N7 X G 4 ? ? 113.48 110.80 2.68 0.40 N
|
| 888 |
+
2 1 C2 X G 8 ? ? N3 X G 8 ? ? C4 X G 8 ? ? 114.95 111.90 3.05 0.50 N
|
| 889 |
+
3 1 C6 X A 9 ? ? N1 X A 9 ? ? C2 X A 9 ? ? 122.66 118.60 4.06 0.60 N
|
| 890 |
+
4 1 N1 X A 9 ? ? C2 X A 9 ? ? N3 X A 9 ? ? 126.05 129.30 -3.25 0.50 N
|
| 891 |
+
5 1 N1 X U 10 ? ? C2 X U 10 ? ? O2 X U 10 ? ? 117.53 122.80 -5.27 0.70 N
|
| 892 |
+
6 1 N3 X U 10 ? ? C4 X U 10 ? ? O4 X U 10 ? ? 123.80 119.40 4.40 0.70 N
|
| 893 |
+
7 1 "O4'" X G 11 ? ? "C1'" X G 11 ? ? N9 X G 11 ? ? 113.41 108.50 4.91 0.70 N
|
| 894 |
+
8 1 C6 X G 11 ? ? N1 X G 11 ? ? C2 X G 11 ? ? 119.53 125.10 -5.57 0.60 N
|
| 895 |
+
9 1 C5 X G 11 ? ? C6 X G 11 ? ? N1 X G 11 ? ? 114.63 111.50 3.13 0.50 N
|
| 896 |
+
10 1 N1 X G 11 ? ? C6 X G 11 ? ? O6 X G 11 ? ? 115.66 119.90 -4.24 0.60 N
|
| 897 |
+
11 1 "C3'" X A 12 ? ? "C2'" X A 12 ? ? "C1'" X A 12 ? ? 95.88 101.30 -5.42 0.70 N
|
| 898 |
+
12 1 C5 X G 13 ? ? C6 X G 13 ? ? N1 X G 13 ? ? 114.60 111.50 3.10 0.50 N
|
| 899 |
+
13 1 N1 X G 13 ? ? C6 X G 13 ? ? O6 X G 13 ? ? 115.85 119.90 -4.05 0.60 N
|
| 900 |
+
14 1 N1 X G 14 ? ? C6 X G 14 ? ? O6 X G 14 ? ? 115.79 119.90 -4.11 0.60 N
|
| 901 |
+
15 1 N1 X C 16 ? ? C2 X C 16 ? ? O2 X C 16 ? ? 113.52 118.90 -5.38 0.60 N
|
| 902 |
+
16 1 N3 X C 16 ? ? C2 X C 16 ? ? O2 X C 16 ? ? 128.07 121.90 6.17 0.70 N
|
| 903 |
+
#
|
| 904 |
+
_pdbx_unobs_or_zero_occ_residues.id 1
|
| 905 |
+
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 1
|
| 906 |
+
_pdbx_unobs_or_zero_occ_residues.polymer_flag Y
|
| 907 |
+
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 1
|
| 908 |
+
_pdbx_unobs_or_zero_occ_residues.auth_asym_id X
|
| 909 |
+
_pdbx_unobs_or_zero_occ_residues.auth_comp_id G
|
| 910 |
+
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 1
|
| 911 |
+
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code ?
|
| 912 |
+
_pdbx_unobs_or_zero_occ_residues.label_asym_id A
|
| 913 |
+
_pdbx_unobs_or_zero_occ_residues.label_comp_id G
|
| 914 |
+
_pdbx_unobs_or_zero_occ_residues.label_seq_id 1
|
| 915 |
+
#
|
| 916 |
+
loop_
|
| 917 |
+
_chem_comp_atom.comp_id
|
| 918 |
+
_chem_comp_atom.atom_id
|
| 919 |
+
_chem_comp_atom.type_symbol
|
| 920 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 921 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 922 |
+
_chem_comp_atom.pdbx_ordinal
|
| 923 |
+
A OP3 O N N 1
|
| 924 |
+
A P P N N 2
|
| 925 |
+
A OP1 O N N 3
|
| 926 |
+
A OP2 O N N 4
|
| 927 |
+
A "O5'" O N N 5
|
| 928 |
+
A "C5'" C N N 6
|
| 929 |
+
A "C4'" C N R 7
|
| 930 |
+
A "O4'" O N N 8
|
| 931 |
+
A "C3'" C N S 9
|
| 932 |
+
A "O3'" O N N 10
|
| 933 |
+
A "C2'" C N R 11
|
| 934 |
+
A "O2'" O N N 12
|
| 935 |
+
A "C1'" C N R 13
|
| 936 |
+
A N9 N Y N 14
|
| 937 |
+
A C8 C Y N 15
|
| 938 |
+
A N7 N Y N 16
|
| 939 |
+
A C5 C Y N 17
|
| 940 |
+
A C6 C Y N 18
|
| 941 |
+
A N6 N N N 19
|
| 942 |
+
A N1 N Y N 20
|
| 943 |
+
A C2 C Y N 21
|
| 944 |
+
A N3 N Y N 22
|
| 945 |
+
A C4 C Y N 23
|
| 946 |
+
A HOP3 H N N 24
|
| 947 |
+
A HOP2 H N N 25
|
| 948 |
+
A "H5'" H N N 26
|
| 949 |
+
A "H5''" H N N 27
|
| 950 |
+
A "H4'" H N N 28
|
| 951 |
+
A "H3'" H N N 29
|
| 952 |
+
A "HO3'" H N N 30
|
| 953 |
+
A "H2'" H N N 31
|
| 954 |
+
A "HO2'" H N N 32
|
| 955 |
+
A "H1'" H N N 33
|
| 956 |
+
A H8 H N N 34
|
| 957 |
+
A H61 H N N 35
|
| 958 |
+
A H62 H N N 36
|
| 959 |
+
A H2 H N N 37
|
| 960 |
+
C OP3 O N N 38
|
| 961 |
+
C P P N N 39
|
| 962 |
+
C OP1 O N N 40
|
| 963 |
+
C OP2 O N N 41
|
| 964 |
+
C "O5'" O N N 42
|
| 965 |
+
C "C5'" C N N 43
|
| 966 |
+
C "C4'" C N R 44
|
| 967 |
+
C "O4'" O N N 45
|
| 968 |
+
C "C3'" C N S 46
|
| 969 |
+
C "O3'" O N N 47
|
| 970 |
+
C "C2'" C N R 48
|
| 971 |
+
C "O2'" O N N 49
|
| 972 |
+
C "C1'" C N R 50
|
| 973 |
+
C N1 N N N 51
|
| 974 |
+
C C2 C N N 52
|
| 975 |
+
C O2 O N N 53
|
| 976 |
+
C N3 N N N 54
|
| 977 |
+
C C4 C N N 55
|
| 978 |
+
C N4 N N N 56
|
| 979 |
+
C C5 C N N 57
|
| 980 |
+
C C6 C N N 58
|
| 981 |
+
C HOP3 H N N 59
|
| 982 |
+
C HOP2 H N N 60
|
| 983 |
+
C "H5'" H N N 61
|
| 984 |
+
C "H5''" H N N 62
|
| 985 |
+
C "H4'" H N N 63
|
| 986 |
+
C "H3'" H N N 64
|
| 987 |
+
C "HO3'" H N N 65
|
| 988 |
+
C "H2'" H N N 66
|
| 989 |
+
C "HO2'" H N N 67
|
| 990 |
+
C "H1'" H N N 68
|
| 991 |
+
C H41 H N N 69
|
| 992 |
+
C H42 H N N 70
|
| 993 |
+
C H5 H N N 71
|
| 994 |
+
C H6 H N N 72
|
| 995 |
+
G OP3 O N N 73
|
| 996 |
+
G P P N N 74
|
| 997 |
+
G OP1 O N N 75
|
| 998 |
+
G OP2 O N N 76
|
| 999 |
+
G "O5'" O N N 77
|
| 1000 |
+
G "C5'" C N N 78
|
| 1001 |
+
G "C4'" C N R 79
|
| 1002 |
+
G "O4'" O N N 80
|
| 1003 |
+
G "C3'" C N S 81
|
| 1004 |
+
G "O3'" O N N 82
|
| 1005 |
+
G "C2'" C N R 83
|
| 1006 |
+
G "O2'" O N N 84
|
| 1007 |
+
G "C1'" C N R 85
|
| 1008 |
+
G N9 N Y N 86
|
| 1009 |
+
G C8 C Y N 87
|
| 1010 |
+
G N7 N Y N 88
|
| 1011 |
+
G C5 C Y N 89
|
| 1012 |
+
G C6 C N N 90
|
| 1013 |
+
G O6 O N N 91
|
| 1014 |
+
G N1 N N N 92
|
| 1015 |
+
G C2 C N N 93
|
| 1016 |
+
G N2 N N N 94
|
| 1017 |
+
G N3 N N N 95
|
| 1018 |
+
G C4 C Y N 96
|
| 1019 |
+
G HOP3 H N N 97
|
| 1020 |
+
G HOP2 H N N 98
|
| 1021 |
+
G "H5'" H N N 99
|
| 1022 |
+
G "H5''" H N N 100
|
| 1023 |
+
G "H4'" H N N 101
|
| 1024 |
+
G "H3'" H N N 102
|
| 1025 |
+
G "HO3'" H N N 103
|
| 1026 |
+
G "H2'" H N N 104
|
| 1027 |
+
G "HO2'" H N N 105
|
| 1028 |
+
G "H1'" H N N 106
|
| 1029 |
+
G H8 H N N 107
|
| 1030 |
+
G H1 H N N 108
|
| 1031 |
+
G H21 H N N 109
|
| 1032 |
+
G H22 H N N 110
|
| 1033 |
+
HOH O O N N 111
|
| 1034 |
+
HOH H1 H N N 112
|
| 1035 |
+
HOH H2 H N N 113
|
| 1036 |
+
SO4 S S N N 114
|
| 1037 |
+
SO4 O1 O N N 115
|
| 1038 |
+
SO4 O2 O N N 116
|
| 1039 |
+
SO4 O3 O N N 117
|
| 1040 |
+
SO4 O4 O N N 118
|
| 1041 |
+
U OP3 O N N 119
|
| 1042 |
+
U P P N N 120
|
| 1043 |
+
U OP1 O N N 121
|
| 1044 |
+
U OP2 O N N 122
|
| 1045 |
+
U "O5'" O N N 123
|
| 1046 |
+
U "C5'" C N N 124
|
| 1047 |
+
U "C4'" C N R 125
|
| 1048 |
+
U "O4'" O N N 126
|
| 1049 |
+
U "C3'" C N S 127
|
| 1050 |
+
U "O3'" O N N 128
|
| 1051 |
+
U "C2'" C N R 129
|
| 1052 |
+
U "O2'" O N N 130
|
| 1053 |
+
U "C1'" C N R 131
|
| 1054 |
+
U N1 N N N 132
|
| 1055 |
+
U C2 C N N 133
|
| 1056 |
+
U O2 O N N 134
|
| 1057 |
+
U N3 N N N 135
|
| 1058 |
+
U C4 C N N 136
|
| 1059 |
+
U O4 O N N 137
|
| 1060 |
+
U C5 C N N 138
|
| 1061 |
+
U C6 C N N 139
|
| 1062 |
+
U HOP3 H N N 140
|
| 1063 |
+
U HOP2 H N N 141
|
| 1064 |
+
U "H5'" H N N 142
|
| 1065 |
+
U "H5''" H N N 143
|
| 1066 |
+
U "H4'" H N N 144
|
| 1067 |
+
U "H3'" H N N 145
|
| 1068 |
+
U "HO3'" H N N 146
|
| 1069 |
+
U "H2'" H N N 147
|
| 1070 |
+
U "HO2'" H N N 148
|
| 1071 |
+
U "H1'" H N N 149
|
| 1072 |
+
U H3 H N N 150
|
| 1073 |
+
U H5 H N N 151
|
| 1074 |
+
U H6 H N N 152
|
| 1075 |
+
#
|
| 1076 |
+
loop_
|
| 1077 |
+
_chem_comp_bond.comp_id
|
| 1078 |
+
_chem_comp_bond.atom_id_1
|
| 1079 |
+
_chem_comp_bond.atom_id_2
|
| 1080 |
+
_chem_comp_bond.value_order
|
| 1081 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 1082 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 1083 |
+
_chem_comp_bond.pdbx_ordinal
|
| 1084 |
+
A OP3 P sing N N 1
|
| 1085 |
+
A OP3 HOP3 sing N N 2
|
| 1086 |
+
A P OP1 doub N N 3
|
| 1087 |
+
A P OP2 sing N N 4
|
| 1088 |
+
A P "O5'" sing N N 5
|
| 1089 |
+
A OP2 HOP2 sing N N 6
|
| 1090 |
+
A "O5'" "C5'" sing N N 7
|
| 1091 |
+
A "C5'" "C4'" sing N N 8
|
| 1092 |
+
A "C5'" "H5'" sing N N 9
|
| 1093 |
+
A "C5'" "H5''" sing N N 10
|
| 1094 |
+
A "C4'" "O4'" sing N N 11
|
| 1095 |
+
A "C4'" "C3'" sing N N 12
|
| 1096 |
+
A "C4'" "H4'" sing N N 13
|
| 1097 |
+
A "O4'" "C1'" sing N N 14
|
| 1098 |
+
A "C3'" "O3'" sing N N 15
|
| 1099 |
+
A "C3'" "C2'" sing N N 16
|
| 1100 |
+
A "C3'" "H3'" sing N N 17
|
| 1101 |
+
A "O3'" "HO3'" sing N N 18
|
| 1102 |
+
A "C2'" "O2'" sing N N 19
|
| 1103 |
+
A "C2'" "C1'" sing N N 20
|
| 1104 |
+
A "C2'" "H2'" sing N N 21
|
| 1105 |
+
A "O2'" "HO2'" sing N N 22
|
| 1106 |
+
A "C1'" N9 sing N N 23
|
| 1107 |
+
A "C1'" "H1'" sing N N 24
|
| 1108 |
+
A N9 C8 sing Y N 25
|
| 1109 |
+
A N9 C4 sing Y N 26
|
| 1110 |
+
A C8 N7 doub Y N 27
|
| 1111 |
+
A C8 H8 sing N N 28
|
| 1112 |
+
A N7 C5 sing Y N 29
|
| 1113 |
+
A C5 C6 sing Y N 30
|
| 1114 |
+
A C5 C4 doub Y N 31
|
| 1115 |
+
A C6 N6 sing N N 32
|
| 1116 |
+
A C6 N1 doub Y N 33
|
| 1117 |
+
A N6 H61 sing N N 34
|
| 1118 |
+
A N6 H62 sing N N 35
|
| 1119 |
+
A N1 C2 sing Y N 36
|
| 1120 |
+
A C2 N3 doub Y N 37
|
| 1121 |
+
A C2 H2 sing N N 38
|
| 1122 |
+
A N3 C4 sing Y N 39
|
| 1123 |
+
C OP3 P sing N N 40
|
| 1124 |
+
C OP3 HOP3 sing N N 41
|
| 1125 |
+
C P OP1 doub N N 42
|
| 1126 |
+
C P OP2 sing N N 43
|
| 1127 |
+
C P "O5'" sing N N 44
|
| 1128 |
+
C OP2 HOP2 sing N N 45
|
| 1129 |
+
C "O5'" "C5'" sing N N 46
|
| 1130 |
+
C "C5'" "C4'" sing N N 47
|
| 1131 |
+
C "C5'" "H5'" sing N N 48
|
| 1132 |
+
C "C5'" "H5''" sing N N 49
|
| 1133 |
+
C "C4'" "O4'" sing N N 50
|
| 1134 |
+
C "C4'" "C3'" sing N N 51
|
| 1135 |
+
C "C4'" "H4'" sing N N 52
|
| 1136 |
+
C "O4'" "C1'" sing N N 53
|
| 1137 |
+
C "C3'" "O3'" sing N N 54
|
| 1138 |
+
C "C3'" "C2'" sing N N 55
|
| 1139 |
+
C "C3'" "H3'" sing N N 56
|
| 1140 |
+
C "O3'" "HO3'" sing N N 57
|
| 1141 |
+
C "C2'" "O2'" sing N N 58
|
| 1142 |
+
C "C2'" "C1'" sing N N 59
|
| 1143 |
+
C "C2'" "H2'" sing N N 60
|
| 1144 |
+
C "O2'" "HO2'" sing N N 61
|
| 1145 |
+
C "C1'" N1 sing N N 62
|
| 1146 |
+
C "C1'" "H1'" sing N N 63
|
| 1147 |
+
C N1 C2 sing N N 64
|
| 1148 |
+
C N1 C6 sing N N 65
|
| 1149 |
+
C C2 O2 doub N N 66
|
| 1150 |
+
C C2 N3 sing N N 67
|
| 1151 |
+
C N3 C4 doub N N 68
|
| 1152 |
+
C C4 N4 sing N N 69
|
| 1153 |
+
C C4 C5 sing N N 70
|
| 1154 |
+
C N4 H41 sing N N 71
|
| 1155 |
+
C N4 H42 sing N N 72
|
| 1156 |
+
C C5 C6 doub N N 73
|
| 1157 |
+
C C5 H5 sing N N 74
|
| 1158 |
+
C C6 H6 sing N N 75
|
| 1159 |
+
G OP3 P sing N N 76
|
| 1160 |
+
G OP3 HOP3 sing N N 77
|
| 1161 |
+
G P OP1 doub N N 78
|
| 1162 |
+
G P OP2 sing N N 79
|
| 1163 |
+
G P "O5'" sing N N 80
|
| 1164 |
+
G OP2 HOP2 sing N N 81
|
| 1165 |
+
G "O5'" "C5'" sing N N 82
|
| 1166 |
+
G "C5'" "C4'" sing N N 83
|
| 1167 |
+
G "C5'" "H5'" sing N N 84
|
| 1168 |
+
G "C5'" "H5''" sing N N 85
|
| 1169 |
+
G "C4'" "O4'" sing N N 86
|
| 1170 |
+
G "C4'" "C3'" sing N N 87
|
| 1171 |
+
G "C4'" "H4'" sing N N 88
|
| 1172 |
+
G "O4'" "C1'" sing N N 89
|
| 1173 |
+
G "C3'" "O3'" sing N N 90
|
| 1174 |
+
G "C3'" "C2'" sing N N 91
|
| 1175 |
+
G "C3'" "H3'" sing N N 92
|
| 1176 |
+
G "O3'" "HO3'" sing N N 93
|
| 1177 |
+
G "C2'" "O2'" sing N N 94
|
| 1178 |
+
G "C2'" "C1'" sing N N 95
|
| 1179 |
+
G "C2'" "H2'" sing N N 96
|
| 1180 |
+
G "O2'" "HO2'" sing N N 97
|
| 1181 |
+
G "C1'" N9 sing N N 98
|
| 1182 |
+
G "C1'" "H1'" sing N N 99
|
| 1183 |
+
G N9 C8 sing Y N 100
|
| 1184 |
+
G N9 C4 sing Y N 101
|
| 1185 |
+
G C8 N7 doub Y N 102
|
| 1186 |
+
G C8 H8 sing N N 103
|
| 1187 |
+
G N7 C5 sing Y N 104
|
| 1188 |
+
G C5 C6 sing N N 105
|
| 1189 |
+
G C5 C4 doub Y N 106
|
| 1190 |
+
G C6 O6 doub N N 107
|
| 1191 |
+
G C6 N1 sing N N 108
|
| 1192 |
+
G N1 C2 sing N N 109
|
| 1193 |
+
G N1 H1 sing N N 110
|
| 1194 |
+
G C2 N2 sing N N 111
|
| 1195 |
+
G C2 N3 doub N N 112
|
| 1196 |
+
G N2 H21 sing N N 113
|
| 1197 |
+
G N2 H22 sing N N 114
|
| 1198 |
+
G N3 C4 sing N N 115
|
| 1199 |
+
HOH O H1 sing N N 116
|
| 1200 |
+
HOH O H2 sing N N 117
|
| 1201 |
+
SO4 S O1 doub N N 118
|
| 1202 |
+
SO4 S O2 doub N N 119
|
| 1203 |
+
SO4 S O3 sing N N 120
|
| 1204 |
+
SO4 S O4 sing N N 121
|
| 1205 |
+
U OP3 P sing N N 122
|
| 1206 |
+
U OP3 HOP3 sing N N 123
|
| 1207 |
+
U P OP1 doub N N 124
|
| 1208 |
+
U P OP2 sing N N 125
|
| 1209 |
+
U P "O5'" sing N N 126
|
| 1210 |
+
U OP2 HOP2 sing N N 127
|
| 1211 |
+
U "O5'" "C5'" sing N N 128
|
| 1212 |
+
U "C5'" "C4'" sing N N 129
|
| 1213 |
+
U "C5'" "H5'" sing N N 130
|
| 1214 |
+
U "C5'" "H5''" sing N N 131
|
| 1215 |
+
U "C4'" "O4'" sing N N 132
|
| 1216 |
+
U "C4'" "C3'" sing N N 133
|
| 1217 |
+
U "C4'" "H4'" sing N N 134
|
| 1218 |
+
U "O4'" "C1'" sing N N 135
|
| 1219 |
+
U "C3'" "O3'" sing N N 136
|
| 1220 |
+
U "C3'" "C2'" sing N N 137
|
| 1221 |
+
U "C3'" "H3'" sing N N 138
|
| 1222 |
+
U "O3'" "HO3'" sing N N 139
|
| 1223 |
+
U "C2'" "O2'" sing N N 140
|
| 1224 |
+
U "C2'" "C1'" sing N N 141
|
| 1225 |
+
U "C2'" "H2'" sing N N 142
|
| 1226 |
+
U "O2'" "HO2'" sing N N 143
|
| 1227 |
+
U "C1'" N1 sing N N 144
|
| 1228 |
+
U "C1'" "H1'" sing N N 145
|
| 1229 |
+
U N1 C2 sing N N 146
|
| 1230 |
+
U N1 C6 sing N N 147
|
| 1231 |
+
U C2 O2 doub N N 148
|
| 1232 |
+
U C2 N3 sing N N 149
|
| 1233 |
+
U N3 C4 sing N N 150
|
| 1234 |
+
U N3 H3 sing N N 151
|
| 1235 |
+
U C4 O4 doub N N 152
|
| 1236 |
+
U C4 C5 sing N N 153
|
| 1237 |
+
U C5 C6 doub N N 154
|
| 1238 |
+
U C5 H5 sing N N 155
|
| 1239 |
+
U C6 H6 sing N N 156
|
| 1240 |
+
#
|
| 1241 |
+
loop_
|
| 1242 |
+
_ndb_struct_conf_na.entry_id
|
| 1243 |
+
_ndb_struct_conf_na.feature
|
| 1244 |
+
3CZW 'double helix'
|
| 1245 |
+
3CZW 'a-form double helix'
|
| 1246 |
+
3CZW 'mismatched base pair'
|
| 1247 |
+
#
|
| 1248 |
+
loop_
|
| 1249 |
+
_ndb_struct_na_base_pair.model_number
|
| 1250 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1251 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1252 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1253 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1254 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1255 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1256 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1257 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1258 |
+
_ndb_struct_na_base_pair.shear
|
| 1259 |
+
_ndb_struct_na_base_pair.stretch
|
| 1260 |
+
_ndb_struct_na_base_pair.stagger
|
| 1261 |
+
_ndb_struct_na_base_pair.buckle
|
| 1262 |
+
_ndb_struct_na_base_pair.propeller
|
| 1263 |
+
_ndb_struct_na_base_pair.opening
|
| 1264 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1265 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1266 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1267 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1268 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1269 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1270 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1271 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1272 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1273 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1274 |
+
1 A G 3 1_555 A C 16 2_555 -0.439 -0.173 -0.153 -9.177 -0.385 2.100 1 X_G3:C16_X X 3 ? X 16 ? 19 1
|
| 1275 |
+
1 A G 4 1_555 A C 15 2_555 -0.315 -0.205 -0.086 -2.324 -7.107 -1.361 2 X_G4:C15_X X 4 ? X 15 ? 19 1
|
| 1276 |
+
1 A U 5 1_555 A G 14 2_555 2.391 -0.581 0.056 2.830 -13.881 -1.906 3 X_U5:G14_X X 5 ? X 14 ? 28 ?
|
| 1277 |
+
1 A C 6 1_555 A G 13 2_555 0.283 -0.120 -0.049 0.578 -11.423 0.460 4 X_C6:G13_X X 6 ? X 13 ? 19 1
|
| 1278 |
+
1 A U 7 1_555 A A 12 2_555 -0.141 -0.042 -0.030 2.598 -2.559 0.889 5 X_U7:A12_X X 7 ? X 12 ? 20 1
|
| 1279 |
+
1 A G 8 1_555 A G 11 2_555 -1.634 -3.586 -0.267 15.016 -0.098 88.210 6 X_G8:G11_X X 8 ? X 11 ? 6 ?
|
| 1280 |
+
1 A A 9 1_555 A U 10 2_555 0.147 -0.085 -0.088 -0.074 -9.880 -0.349 7 X_A9:U10_X X 9 ? X 10 ? 20 1
|
| 1281 |
+
1 A U 10 1_555 A A 9 2_555 -0.147 -0.085 -0.088 0.074 -9.880 -0.349 8 X_U10:A9_X X 10 ? X 9 ? 20 1
|
| 1282 |
+
1 A G 11 1_555 A G 8 2_555 1.634 3.586 0.267 -15.016 0.098 -88.210 9 X_G11:G8_X X 11 ? X 8 ? 6 ?
|
| 1283 |
+
1 A A 12 1_555 A U 7 2_555 0.141 -0.042 -0.030 -2.598 -2.559 0.889 10 X_A12:U7_X X 12 ? X 7 ? 20 1
|
| 1284 |
+
1 A G 13 1_555 A C 6 2_555 -0.283 -0.120 -0.049 -0.578 -11.423 0.460 11 X_G13:C6_X X 13 ? X 6 ? 19 1
|
| 1285 |
+
1 A G 14 1_555 A U 5 2_555 -2.391 -0.581 0.056 -2.830 -13.881 -1.906 12 X_G14:U5_X X 14 ? X 5 ? 28 ?
|
| 1286 |
+
1 A C 15 1_555 A G 4 2_555 0.315 -0.205 -0.086 2.324 -7.107 -1.361 13 X_C15:G4_X X 15 ? X 4 ? 19 1
|
| 1287 |
+
1 A C 16 1_555 A G 3 2_555 0.439 -0.173 -0.153 9.177 -0.385 2.100 14 X_C16:G3_X X 16 ? X 3 ? 19 1
|
| 1288 |
+
#
|
| 1289 |
+
loop_
|
| 1290 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1291 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1292 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1293 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1294 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1295 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1296 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1297 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1298 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1299 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1300 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1301 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1302 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1303 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1304 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1305 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1306 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1307 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1308 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1309 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1310 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1311 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1312 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1313 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1314 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1315 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1316 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1317 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1318 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1319 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1320 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1321 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1322 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1323 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1324 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1325 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1326 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1327 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1328 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1329 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1330 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1331 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1332 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1333 |
+
1 A G 3 1_555 A C 16 2_555 A G 4 1_555 A C 15 2_555 -0.547 -2.216 3.229 -1.135 2.164 24.930 -5.726 0.938 3.051 4.997
|
| 1334 |
+
2.620 25.047 1 XX_G3G4:C15C16_XX X 3 ? X 16 ? X 4 ? X 15 ?
|
| 1335 |
+
1 A G 4 1_555 A C 15 2_555 A U 5 1_555 A G 14 2_555 -0.039 -1.573 3.175 -0.665 4.661 41.401 -2.677 -0.012 2.989 6.567
|
| 1336 |
+
0.937 41.656 2 XX_G4U5:G14C15_XX X 4 ? X 15 ? X 5 ? X 14 ?
|
| 1337 |
+
1 A U 5 1_555 A G 14 2_555 A C 6 1_555 A G 13 2_555 -0.175 -2.068 3.104 3.830 9.694 24.168 -6.702 1.237 2.081 21.895
|
| 1338 |
+
-8.650 26.289 3 XX_U5C6:G13G14_XX X 5 ? X 14 ? X 6 ? X 13 ?
|
| 1339 |
+
1 A C 6 1_555 A G 13 2_555 A U 7 1_555 A A 12 2_555 -0.060 -1.534 3.242 -1.057 8.458 27.995 -4.735 -0.094 2.674 16.992
|
| 1340 |
+
2.124 29.239 4 XX_C6U7:A12G13_XX X 6 ? X 13 ? X 7 ? X 12 ?
|
| 1341 |
+
1 A U 7 1_555 A A 12 2_555 A G 8 1_555 A G 11 2_555 0.208 3.282 -1.379 173.274 -30.979 -170.107 -1.652 0.046 -1.342 15.491
|
| 1342 |
+
86.644 -179.657 5 XX_U7G8:G11A12_XX X 7 ? X 12 ? X 8 ? X 11 ?
|
| 1343 |
+
1 A G 8 1_555 A G 11 2_555 A A 9 1_555 A U 10 2_555 -0.845 -3.355 -3.271 129.452 -110.929 88.020 -2.293 -0.292 -1.170 -56.407
|
| 1344 |
+
-65.826 173.156 6 XX_G8A9:U10G11_XX X 8 ? X 11 ? X 9 ? X 10 ?
|
| 1345 |
+
1 A A 9 1_555 A U 10 2_555 A U 10 1_555 A A 9 2_555 0.000 -1.896 3.282 0.000 3.145 30.048 -4.259 0.000 3.072 6.044
|
| 1346 |
+
0.000 30.209 7 XX_A9U10:A9U10_XX X 9 ? X 10 ? X 10 ? X 9 ?
|
| 1347 |
+
1 A U 10 1_555 A A 9 2_555 A G 11 1_555 A G 8 2_555 1.164 -3.424 3.098 6.848 6.615 81.187 -2.773 -0.730 2.935 5.067
|
| 1348 |
+
-5.245 81.648 8 XX_U10G11:G8A9_XX X 10 ? X 9 ? X 11 ? X 8 ?
|
| 1349 |
+
1 A G 11 1_555 A G 8 2_555 A A 12 1_555 A U 7 2_555 -1.342 0.491 3.268 0.343 3.964 -20.273 -3.080 -3.594 3.137 -11.124
|
| 1350 |
+
0.963 -20.656 9 XX_G11A12:U7G8_XX X 11 ? X 8 ? X 12 ? X 7 ?
|
| 1351 |
+
1 A A 12 1_555 A U 7 2_555 A G 13 1_555 A C 6 2_555 0.060 -1.534 3.242 1.057 8.458 27.995 -4.735 0.094 2.674 16.992
|
| 1352 |
+
-2.124 29.239 10 XX_A12G13:C6U7_XX X 12 ? X 7 ? X 13 ? X 6 ?
|
| 1353 |
+
1 A G 13 1_555 A C 6 2_555 A G 14 1_555 A U 5 2_555 0.175 -2.068 3.104 -3.830 9.694 24.168 -6.702 -1.237 2.081 21.895
|
| 1354 |
+
8.650 26.289 11 XX_G13G14:U5C6_XX X 13 ? X 6 ? X 14 ? X 5 ?
|
| 1355 |
+
1 A G 14 1_555 A U 5 2_555 A C 15 1_555 A G 4 2_555 0.039 -1.573 3.175 0.665 4.661 41.401 -2.677 0.012 2.989 6.567
|
| 1356 |
+
-0.937 41.656 12 XX_G14C15:G4U5_XX X 14 ? X 5 ? X 15 ? X 4 ?
|
| 1357 |
+
1 A C 15 1_555 A G 4 2_555 A C 16 1_555 A G 3 2_555 0.547 -2.216 3.229 1.135 2.164 24.930 -5.726 -0.938 3.051 4.998
|
| 1358 |
+
-2.620 25.047 13 XX_C15C16:G3G4_XX X 15 ? X 4 ? X 16 ? X 3 ?
|
| 1359 |
+
#
|
| 1360 |
+
_pdbx_initial_refinement_model.accession_code 1JJ2
|
| 1361 |
+
_pdbx_initial_refinement_model.id 1
|
| 1362 |
+
_pdbx_initial_refinement_model.entity_id_list ?
|
| 1363 |
+
_pdbx_initial_refinement_model.type 'experimental model'
|
| 1364 |
+
_pdbx_initial_refinement_model.source_name PDB
|
| 1365 |
+
_pdbx_initial_refinement_model.details 'a short duplex GUCU:CGGA taken from NDB: RR0033'
|
| 1366 |
+
#
|
| 1367 |
+
_atom_sites.entry_id 3CZW
|
| 1368 |
+
_atom_sites.fract_transf_matrix[1][1] 0.017846
|
| 1369 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 1370 |
+
_atom_sites.fract_transf_matrix[1][3] 0.017446
|
| 1371 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1372 |
+
_atom_sites.fract_transf_matrix[2][2] 0.031384
|
| 1373 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1374 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1375 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1376 |
+
_atom_sites.fract_transf_matrix[3][3] 0.035133
|
| 1377 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 1378 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 1379 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 1380 |
+
#
|
| 1381 |
+
loop_
|
| 1382 |
+
_atom_type.symbol
|
| 1383 |
+
C
|
| 1384 |
+
N
|
| 1385 |
+
O
|
| 1386 |
+
P
|
| 1387 |
+
S
|
| 1388 |
+
#
|
| 1389 |
+
loop_
|
| 1390 |
+
_atom_site.group_PDB
|
| 1391 |
+
_atom_site.id
|
| 1392 |
+
_atom_site.type_symbol
|
| 1393 |
+
_atom_site.label_atom_id
|
| 1394 |
+
_atom_site.label_alt_id
|
| 1395 |
+
_atom_site.label_comp_id
|
| 1396 |
+
_atom_site.label_asym_id
|
| 1397 |
+
_atom_site.label_entity_id
|
| 1398 |
+
_atom_site.label_seq_id
|
| 1399 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1400 |
+
_atom_site.Cartn_x
|
| 1401 |
+
_atom_site.Cartn_y
|
| 1402 |
+
_atom_site.Cartn_z
|
| 1403 |
+
_atom_site.occupancy
|
| 1404 |
+
_atom_site.B_iso_or_equiv
|
| 1405 |
+
_atom_site.pdbx_formal_charge
|
| 1406 |
+
_atom_site.auth_seq_id
|
| 1407 |
+
_atom_site.auth_comp_id
|
| 1408 |
+
_atom_site.auth_asym_id
|
| 1409 |
+
_atom_site.auth_atom_id
|
| 1410 |
+
_atom_site.pdbx_PDB_model_num
|
| 1411 |
+
ATOM 1 O "O3'" . U A 1 2 ? 6.112 -8.438 -16.298 1.00 65.41 ? 2 U X "O3'" 1
|
| 1412 |
+
ATOM 2 P P . G A 1 3 ? 7.710 -8.477 -15.949 1.00 65.39 ? 3 G X P 1
|
| 1413 |
+
ATOM 3 O OP1 . G A 1 3 ? 7.892 -7.958 -14.546 1.00 65.46 ? 3 G X OP1 1
|
| 1414 |
+
ATOM 4 O OP2 . G A 1 3 ? 8.428 -7.798 -17.076 1.00 66.42 ? 3 G X OP2 1
|
| 1415 |
+
ATOM 5 O "O5'" . G A 1 3 ? 8.128 -10.026 -15.926 1.00 53.75 ? 3 G X "O5'" 1
|
| 1416 |
+
ATOM 6 C "C5'" . G A 1 3 ? 7.619 -10.990 -16.784 1.00 44.68 ? 3 G X "C5'" 1
|
| 1417 |
+
ATOM 7 C "C4'" . G A 1 3 ? 8.291 -12.311 -16.465 1.00 38.44 ? 3 G X "C4'" 1
|
| 1418 |
+
ATOM 8 O "O4'" . G A 1 3 ? 9.738 -12.228 -16.660 1.00 35.93 ? 3 G X "O4'" 1
|
| 1419 |
+
ATOM 9 C "C3'" . G A 1 3 ? 8.201 -12.671 -15.002 1.00 36.13 ? 3 G X "C3'" 1
|
| 1420 |
+
ATOM 10 O "O3'" . G A 1 3 ? 6.878 -13.150 -14.678 1.00 35.11 ? 3 G X "O3'" 1
|
| 1421 |
+
ATOM 11 C "C2'" . G A 1 3 ? 9.314 -13.735 -14.983 1.00 33.68 ? 3 G X "C2'" 1
|
| 1422 |
+
ATOM 12 O "O2'" . G A 1 3 ? 8.986 -14.991 -15.582 1.00 35.14 ? 3 G X "O2'" 1
|
| 1423 |
+
ATOM 13 C "C1'" . G A 1 3 ? 10.428 -12.989 -15.695 1.00 30.16 ? 3 G X "C1'" 1
|
| 1424 |
+
ATOM 14 N N9 . G A 1 3 ? 11.172 -12.038 -14.843 1.00 27.79 ? 3 G X N9 1
|
| 1425 |
+
ATOM 15 C C8 . G A 1 3 ? 11.168 -10.672 -14.834 1.00 25.92 ? 3 G X C8 1
|
| 1426 |
+
ATOM 16 N N7 . G A 1 3 ? 11.941 -10.126 -13.929 1.00 29.26 ? 3 G X N7 1
|
| 1427 |
+
ATOM 17 C C5 . G A 1 3 ? 12.520 -11.231 -13.275 1.00 26.42 ? 3 G X C5 1
|
| 1428 |
+
ATOM 18 C C6 . G A 1 3 ? 13.470 -11.334 -12.194 1.00 26.38 ? 3 G X C6 1
|
| 1429 |
+
ATOM 19 O O6 . G A 1 3 ? 14.006 -10.402 -11.573 1.00 28.13 ? 3 G X O6 1
|
| 1430 |
+
ATOM 20 N N1 . G A 1 3 ? 13.765 -12.643 -11.898 1.00 26.00 ? 3 G X N1 1
|
| 1431 |
+
ATOM 21 C C2 . G A 1 3 ? 13.247 -13.742 -12.498 1.00 25.34 ? 3 G X C2 1
|
| 1432 |
+
ATOM 22 N N2 . G A 1 3 ? 13.622 -14.952 -12.110 1.00 26.17 ? 3 G X N2 1
|
| 1433 |
+
ATOM 23 N N3 . G A 1 3 ? 12.355 -13.656 -13.515 1.00 25.63 ? 3 G X N3 1
|
| 1434 |
+
ATOM 24 C C4 . G A 1 3 ? 12.048 -12.393 -13.807 1.00 25.12 ? 3 G X C4 1
|
| 1435 |
+
ATOM 25 P P . G A 1 4 ? 6.350 -13.097 -13.134 1.00 33.80 ? 4 G X P 1
|
| 1436 |
+
ATOM 26 O OP1 . G A 1 4 ? 4.970 -13.665 -13.201 1.00 37.55 ? 4 G X OP1 1
|
| 1437 |
+
ATOM 27 O OP2 . G A 1 4 ? 6.581 -11.728 -12.655 1.00 31.64 ? 4 G X OP2 1
|
| 1438 |
+
ATOM 28 O "O5'" . G A 1 4 ? 7.235 -14.198 -12.419 1.00 29.67 ? 4 G X "O5'" 1
|
| 1439 |
+
ATOM 29 C "C5'" . G A 1 4 ? 7.152 -15.556 -12.812 1.00 29.34 ? 4 G X "C5'" 1
|
| 1440 |
+
ATOM 30 C "C4'" . G A 1 4 ? 8.174 -16.395 -12.113 1.00 28.56 ? 4 G X "C4'" 1
|
| 1441 |
+
ATOM 31 O "O4'" . G A 1 4 ? 9.426 -15.673 -12.265 1.00 30.12 ? 4 G X "O4'" 1
|
| 1442 |
+
ATOM 32 C "C3'" . G A 1 4 ? 7.980 -16.319 -10.612 1.00 28.67 ? 4 G X "C3'" 1
|
| 1443 |
+
ATOM 33 O "O3'" . G A 1 4 ? 7.076 -17.275 -10.196 1.00 29.16 ? 4 G X "O3'" 1
|
| 1444 |
+
ATOM 34 C "C2'" . G A 1 4 ? 9.367 -16.744 -10.193 1.00 27.43 ? 4 G X "C2'" 1
|
| 1445 |
+
ATOM 35 O "O2'" . G A 1 4 ? 9.561 -18.106 -10.493 1.00 30.32 ? 4 G X "O2'" 1
|
| 1446 |
+
ATOM 36 C "C1'" . G A 1 4 ? 10.238 -15.906 -11.113 1.00 25.34 ? 4 G X "C1'" 1
|
| 1447 |
+
ATOM 37 N N9 . G A 1 4 ? 10.632 -14.614 -10.603 1.00 23.80 ? 4 G X N9 1
|
| 1448 |
+
ATOM 38 C C8 . G A 1 4 ? 10.177 -13.349 -10.929 1.00 21.03 ? 4 G X C8 1
|
| 1449 |
+
ATOM 39 N N7 . G A 1 4 ? 10.764 -12.398 -10.263 1.00 23.01 ? 4 G X N7 1
|
| 1450 |
+
ATOM 40 C C5 . G A 1 4 ? 11.644 -13.111 -9.421 1.00 21.32 ? 4 G X C5 1
|
| 1451 |
+
ATOM 41 C C6 . G A 1 4 ? 12.532 -12.630 -8.432 1.00 19.61 ? 4 G X C6 1
|
| 1452 |
+
ATOM 42 O O6 . G A 1 4 ? 12.735 -11.476 -8.158 1.00 21.19 ? 4 G X O6 1
|
| 1453 |
+
ATOM 43 N N1 . G A 1 4 ? 13.230 -13.638 -7.832 1.00 19.66 ? 4 G X N1 1
|
| 1454 |
+
ATOM 44 C C2 . G A 1 4 ? 13.074 -14.955 -8.059 1.00 20.70 ? 4 G X C2 1
|
| 1455 |
+
ATOM 45 N N2 . G A 1 4 ? 13.811 -15.797 -7.360 1.00 22.48 ? 4 G X N2 1
|
| 1456 |
+
ATOM 46 N N3 . G A 1 4 ? 12.247 -15.462 -8.967 1.00 22.84 ? 4 G X N3 1
|
| 1457 |
+
ATOM 47 C C4 . G A 1 4 ? 11.580 -14.450 -9.586 1.00 21.99 ? 4 G X C4 1
|
| 1458 |
+
ATOM 48 P P . U A 1 5 ? 6.100 -16.921 -8.964 1.00 30.18 ? 5 U X P 1
|
| 1459 |
+
ATOM 49 O OP1 . U A 1 5 ? 5.094 -17.995 -8.924 1.00 35.12 ? 5 U X OP1 1
|
| 1460 |
+
ATOM 50 O OP2 . U A 1 5 ? 5.711 -15.511 -8.913 1.00 26.68 ? 5 U X OP2 1
|
| 1461 |
+
ATOM 51 O "O5'" . U A 1 5 ? 7.096 -17.174 -7.713 1.00 25.96 ? 5 U X "O5'" 1
|
| 1462 |
+
ATOM 52 C "C5'" . U A 1 5 ? 7.686 -18.382 -7.471 1.00 24.46 ? 5 U X "C5'" 1
|
| 1463 |
+
ATOM 53 C "C4'" . U A 1 5 ? 8.787 -18.181 -6.443 1.00 26.74 ? 5 U X "C4'" 1
|
| 1464 |
+
ATOM 54 O "O4'" . U A 1 5 ? 9.848 -17.333 -6.952 1.00 24.91 ? 5 U X "O4'" 1
|
| 1465 |
+
ATOM 55 C "C3'" . U A 1 5 ? 8.371 -17.465 -5.155 1.00 24.40 ? 5 U X "C3'" 1
|
| 1466 |
+
ATOM 56 O "O3'" . U A 1 5 ? 7.744 -18.361 -4.353 1.00 23.93 ? 5 U X "O3'" 1
|
| 1467 |
+
ATOM 57 C "C2'" . U A 1 5 ? 9.721 -17.006 -4.601 1.00 22.40 ? 5 U X "C2'" 1
|
| 1468 |
+
ATOM 58 O "O2'" . U A 1 5 ? 10.515 -18.050 -4.141 1.00 24.25 ? 5 U X "O2'" 1
|
| 1469 |
+
ATOM 59 C "C1'" . U A 1 5 ? 10.377 -16.523 -5.893 1.00 22.77 ? 5 U X "C1'" 1
|
| 1470 |
+
ATOM 60 N N1 . U A 1 5 ? 10.125 -15.051 -6.160 1.00 21.40 ? 5 U X N1 1
|
| 1471 |
+
ATOM 61 C C2 . U A 1 5 ? 10.916 -14.177 -5.467 1.00 21.87 ? 5 U X C2 1
|
| 1472 |
+
ATOM 62 O O2 . U A 1 5 ? 11.740 -14.593 -4.674 1.00 19.79 ? 5 U X O2 1
|
| 1473 |
+
ATOM 63 N N3 . U A 1 5 ? 10.696 -12.851 -5.696 1.00 20.21 ? 5 U X N3 1
|
| 1474 |
+
ATOM 64 C C4 . U A 1 5 ? 9.718 -12.339 -6.559 1.00 21.19 ? 5 U X C4 1
|
| 1475 |
+
ATOM 65 O O4 . U A 1 5 ? 9.650 -11.130 -6.672 1.00 21.77 ? 5 U X O4 1
|
| 1476 |
+
ATOM 66 C C5 . U A 1 5 ? 8.917 -13.308 -7.283 1.00 21.79 ? 5 U X C5 1
|
| 1477 |
+
ATOM 67 C C6 . U A 1 5 ? 9.133 -14.611 -7.064 1.00 19.88 ? 5 U X C6 1
|
| 1478 |
+
ATOM 68 P P . C A 1 6 ? 6.710 -17.909 -3.278 1.00 26.44 ? 6 C X P 1
|
| 1479 |
+
ATOM 69 O OP1 . C A 1 6 ? 6.023 -19.149 -2.887 1.00 27.53 ? 6 C X OP1 1
|
| 1480 |
+
ATOM 70 O OP2 . C A 1 6 ? 5.953 -16.731 -3.791 1.00 28.67 ? 6 C X OP2 1
|
| 1481 |
+
ATOM 71 O "O5'" . C A 1 6 ? 7.558 -17.385 -2.030 1.00 25.35 ? 6 C X "O5'" 1
|
| 1482 |
+
ATOM 72 C "C5'" . C A 1 6 ? 8.321 -18.286 -1.302 1.00 25.25 ? 6 C X "C5'" 1
|
| 1483 |
+
ATOM 73 C "C4'" . C A 1 6 ? 9.208 -17.510 -0.365 1.00 25.31 ? 6 C X "C4'" 1
|
| 1484 |
+
ATOM 74 O "O4'" . C A 1 6 ? 10.103 -16.655 -1.127 1.00 22.99 ? 6 C X "O4'" 1
|
| 1485 |
+
ATOM 75 C "C3'" . C A 1 6 ? 8.507 -16.535 0.527 1.00 24.53 ? 6 C X "C3'" 1
|
| 1486 |
+
ATOM 76 O "O3'" . C A 1 6 ? 7.934 -17.211 1.620 1.00 26.28 ? 6 C X "O3'" 1
|
| 1487 |
+
ATOM 77 C "C2'" . C A 1 6 ? 9.691 -15.688 0.967 1.00 22.02 ? 6 C X "C2'" 1
|
| 1488 |
+
ATOM 78 O "O2'" . C A 1 6 ? 10.549 -16.446 1.776 1.00 22.88 ? 6 C X "O2'" 1
|
| 1489 |
+
ATOM 79 C "C1'" . C A 1 6 ? 10.359 -15.506 -0.381 1.00 22.41 ? 6 C X "C1'" 1
|
| 1490 |
+
ATOM 80 N N1 . C A 1 6 ? 9.892 -14.314 -1.190 1.00 21.22 ? 6 C X N1 1
|
| 1491 |
+
ATOM 81 C C2 . C A 1 6 ? 10.476 -13.065 -0.908 1.00 22.43 ? 6 C X C2 1
|
| 1492 |
+
ATOM 82 O O2 . C A 1 6 ? 11.299 -12.943 0.068 1.00 22.14 ? 6 C X O2 1
|
| 1493 |
+
ATOM 83 N N3 . C A 1 6 ? 10.077 -12.001 -1.642 1.00 20.23 ? 6 C X N3 1
|
| 1494 |
+
ATOM 84 C C4 . C A 1 6 ? 9.217 -12.105 -2.648 1.00 19.63 ? 6 C X C4 1
|
| 1495 |
+
ATOM 85 N N4 . C A 1 6 ? 8.957 -11.002 -3.295 1.00 21.21 ? 6 C X N4 1
|
| 1496 |
+
ATOM 86 C C5 . C A 1 6 ? 8.606 -13.344 -2.948 1.00 20.67 ? 6 C X C5 1
|
| 1497 |
+
ATOM 87 C C6 . C A 1 6 ? 8.981 -14.418 -2.226 1.00 21.63 ? 6 C X C6 1
|
| 1498 |
+
ATOM 88 P P . U A 1 7 ? 6.692 -16.501 2.386 1.00 27.48 ? 7 U X P 1
|
| 1499 |
+
ATOM 89 O OP1 . U A 1 7 ? 6.292 -17.521 3.390 1.00 30.02 ? 7 U X OP1 1
|
| 1500 |
+
ATOM 90 O OP2 . U A 1 7 ? 5.707 -16.002 1.398 1.00 28.69 ? 7 U X OP2 1
|
| 1501 |
+
ATOM 91 O "O5'" . U A 1 7 ? 7.284 -15.230 3.088 1.00 25.96 ? 7 U X "O5'" 1
|
| 1502 |
+
ATOM 92 C "C5'" . U A 1 7 ? 8.212 -15.413 4.144 1.00 25.86 ? 7 U X "C5'" 1
|
| 1503 |
+
ATOM 93 C "C4'" . U A 1 7 ? 8.717 -14.093 4.613 1.00 27.45 ? 7 U X "C4'" 1
|
| 1504 |
+
ATOM 94 O "O4'" . U A 1 7 ? 9.425 -13.400 3.541 1.00 25.05 ? 7 U X "O4'" 1
|
| 1505 |
+
ATOM 95 C "C3'" . U A 1 7 ? 7.572 -13.156 4.961 1.00 28.74 ? 7 U X "C3'" 1
|
| 1506 |
+
ATOM 96 O "O3'" . U A 1 7 ? 7.083 -13.528 6.259 1.00 30.84 ? 7 U X "O3'" 1
|
| 1507 |
+
ATOM 97 C "C2'" . U A 1 7 ? 8.331 -11.832 4.957 1.00 26.57 ? 7 U X "C2'" 1
|
| 1508 |
+
ATOM 98 O "O2'" . U A 1 7 ? 9.213 -11.730 6.054 1.00 30.72 ? 7 U X "O2'" 1
|
| 1509 |
+
ATOM 99 C "C1'" . U A 1 7 ? 9.191 -12.010 3.743 1.00 25.00 ? 7 U X "C1'" 1
|
| 1510 |
+
ATOM 100 N N1 . U A 1 7 ? 8.584 -11.534 2.480 1.00 23.44 ? 7 U X N1 1
|
| 1511 |
+
ATOM 101 C C2 . U A 1 7 ? 8.786 -10.195 2.219 1.00 25.17 ? 7 U X C2 1
|
| 1512 |
+
ATOM 102 O O2 . U A 1 7 ? 9.364 -9.461 2.977 1.00 24.79 ? 7 U X O2 1
|
| 1513 |
+
ATOM 103 N N3 . U A 1 7 ? 8.285 -9.725 1.037 1.00 21.98 ? 7 U X N3 1
|
| 1514 |
+
ATOM 104 C C4 . U A 1 7 ? 7.632 -10.510 0.131 1.00 25.88 ? 7 U X C4 1
|
| 1515 |
+
ATOM 105 O O4 . U A 1 7 ? 7.226 -9.945 -0.878 1.00 25.03 ? 7 U X O4 1
|
| 1516 |
+
ATOM 106 C C5 . U A 1 7 ? 7.414 -11.909 0.474 1.00 23.78 ? 7 U X C5 1
|
| 1517 |
+
ATOM 107 C C6 . U A 1 7 ? 7.905 -12.380 1.623 1.00 24.16 ? 7 U X C6 1
|
| 1518 |
+
ATOM 108 P P . G A 1 8 ? 5.611 -13.015 6.634 1.00 32.08 ? 8 G X P 1
|
| 1519 |
+
ATOM 109 O OP1 . G A 1 8 ? 5.177 -13.750 7.837 1.00 35.91 ? 8 G X OP1 1
|
| 1520 |
+
ATOM 110 O OP2 . G A 1 8 ? 4.708 -12.929 5.447 1.00 31.26 ? 8 G X OP2 1
|
| 1521 |
+
ATOM 111 O "O5'" . G A 1 8 ? 6.121 -11.617 7.139 1.00 31.55 ? 8 G X "O5'" 1
|
| 1522 |
+
ATOM 112 C "C5'" . G A 1 8 ? 5.313 -10.456 7.076 1.00 31.07 ? 8 G X "C5'" 1
|
| 1523 |
+
ATOM 113 C "C4'" . G A 1 8 ? 6.159 -9.226 7.393 1.00 28.40 ? 8 G X "C4'" 1
|
| 1524 |
+
ATOM 114 O "O4'" . G A 1 8 ? 7.242 -9.039 6.443 1.00 28.19 ? 8 G X "O4'" 1
|
| 1525 |
+
ATOM 115 C "C3'" . G A 1 8 ? 5.344 -7.972 7.240 1.00 27.97 ? 8 G X "C3'" 1
|
| 1526 |
+
ATOM 116 O "O3'" . G A 1 8 ? 4.599 -7.733 8.459 1.00 27.54 ? 8 G X "O3'" 1
|
| 1527 |
+
ATOM 117 C "C2'" . G A 1 8 ? 6.431 -6.962 7.030 1.00 28.35 ? 8 G X "C2'" 1
|
| 1528 |
+
ATOM 118 O "O2'" . G A 1 8 ? 7.016 -6.801 8.285 1.00 29.24 ? 8 G X "O2'" 1
|
| 1529 |
+
ATOM 119 C "C1'" . G A 1 8 ? 7.334 -7.702 6.068 1.00 25.09 ? 8 G X "C1'" 1
|
| 1530 |
+
ATOM 120 N N9 . G A 1 8 ? 6.815 -7.527 4.689 1.00 23.76 ? 8 G X N9 1
|
| 1531 |
+
ATOM 121 C C8 . G A 1 8 ? 6.956 -6.329 4.053 1.00 23.19 ? 8 G X C8 1
|
| 1532 |
+
ATOM 122 N N7 . G A 1 8 ? 6.429 -6.305 2.836 1.00 21.85 ? 8 G X N7 1
|
| 1533 |
+
ATOM 123 C C5 . G A 1 8 ? 5.926 -7.588 2.701 1.00 20.47 ? 8 G X C5 1
|
| 1534 |
+
ATOM 124 C C6 . G A 1 8 ? 5.248 -8.135 1.611 1.00 24.35 ? 8 G X C6 1
|
| 1535 |
+
ATOM 125 O O6 . G A 1 8 ? 4.961 -7.545 0.547 1.00 23.34 ? 8 G X O6 1
|
| 1536 |
+
ATOM 126 N N1 . G A 1 8 ? 4.853 -9.450 1.816 1.00 23.44 ? 8 G X N1 1
|
| 1537 |
+
ATOM 127 C C2 . G A 1 8 ? 5.110 -10.155 2.970 1.00 25.17 ? 8 G X C2 1
|
| 1538 |
+
ATOM 128 N N2 . G A 1 8 ? 4.679 -11.460 3.031 1.00 24.17 ? 8 G X N2 1
|
| 1539 |
+
ATOM 129 N N3 . G A 1 8 ? 5.730 -9.610 4.008 1.00 24.32 ? 8 G X N3 1
|
| 1540 |
+
ATOM 130 C C4 . G A 1 8 ? 6.134 -8.347 3.825 1.00 24.35 ? 8 G X C4 1
|
| 1541 |
+
ATOM 131 P P . A A 1 9 ? 3.143 -7.110 8.363 1.00 26.09 ? 9 A X P 1
|
| 1542 |
+
ATOM 132 O OP1 . A A 1 9 ? 2.738 -7.026 9.803 1.00 30.69 ? 9 A X OP1 1
|
| 1543 |
+
ATOM 133 O OP2 . A A 1 9 ? 2.288 -7.726 7.340 1.00 28.13 ? 9 A X OP2 1
|
| 1544 |
+
ATOM 134 O "O5'" . A A 1 9 ? 3.470 -5.618 7.897 1.00 24.48 ? 9 A X "O5'" 1
|
| 1545 |
+
ATOM 135 C "C5'" . A A 1 9 ? 4.272 -4.657 8.581 1.00 23.75 ? 9 A X "C5'" 1
|
| 1546 |
+
ATOM 136 C "C4'" . A A 1 9 ? 4.241 -3.381 7.789 1.00 23.54 ? 9 A X "C4'" 1
|
| 1547 |
+
ATOM 137 O "O4'" . A A 1 9 ? 4.883 -3.632 6.484 1.00 21.15 ? 9 A X "O4'" 1
|
| 1548 |
+
ATOM 138 C "C3'" . A A 1 9 ? 2.861 -2.907 7.375 1.00 22.47 ? 9 A X "C3'" 1
|
| 1549 |
+
ATOM 139 O "O3'" . A A 1 9 ? 2.251 -2.222 8.447 1.00 20.92 ? 9 A X "O3'" 1
|
| 1550 |
+
ATOM 140 C "C2'" . A A 1 9 ? 3.229 -1.918 6.293 1.00 21.73 ? 9 A X "C2'" 1
|
| 1551 |
+
ATOM 141 O "O2'" . A A 1 9 ? 3.900 -0.759 6.769 1.00 21.43 ? 9 A X "O2'" 1
|
| 1552 |
+
ATOM 142 C "C1'" . A A 1 9 ? 4.241 -2.792 5.529 1.00 21.64 ? 9 A X "C1'" 1
|
| 1553 |
+
ATOM 143 N N9 . A A 1 9 ? 3.677 -3.713 4.549 1.00 19.22 ? 9 A X N9 1
|
| 1554 |
+
ATOM 144 C C8 . A A 1 9 ? 3.547 -5.056 4.652 1.00 19.82 ? 9 A X C8 1
|
| 1555 |
+
ATOM 145 N N7 . A A 1 9 ? 3.043 -5.627 3.571 1.00 20.79 ? 9 A X N7 1
|
| 1556 |
+
ATOM 146 C C5 . A A 1 9 ? 2.800 -4.580 2.719 1.00 17.86 ? 9 A X C5 1
|
| 1557 |
+
ATOM 147 C C6 . A A 1 9 ? 2.312 -4.499 1.378 1.00 18.03 ? 9 A X C6 1
|
| 1558 |
+
ATOM 148 N N6 . A A 1 9 ? 1.873 -5.537 0.703 1.00 20.88 ? 9 A X N6 1
|
| 1559 |
+
ATOM 149 N N1 . A A 1 9 ? 2.191 -3.271 0.880 1.00 18.65 ? 9 A X N1 1
|
| 1560 |
+
ATOM 150 C C2 . A A 1 9 ? 2.613 -2.194 1.524 1.00 19.72 ? 9 A X C2 1
|
| 1561 |
+
ATOM 151 N N3 . A A 1 9 ? 3.145 -2.166 2.787 1.00 20.11 ? 9 A X N3 1
|
| 1562 |
+
ATOM 152 C C4 . A A 1 9 ? 3.194 -3.396 3.283 1.00 19.92 ? 9 A X C4 1
|
| 1563 |
+
ATOM 153 P P . U A 1 10 ? 0.674 -2.194 8.538 1.00 23.00 ? 10 U X P 1
|
| 1564 |
+
ATOM 154 O OP1 . U A 1 10 ? 0.381 -1.570 9.850 1.00 24.58 ? 10 U X OP1 1
|
| 1565 |
+
ATOM 155 O OP2 . U A 1 10 ? 0.081 -3.499 8.260 1.00 23.76 ? 10 U X OP2 1
|
| 1566 |
+
ATOM 156 O "O5'" . U A 1 10 ? 0.261 -1.223 7.343 1.00 20.52 ? 10 U X "O5'" 1
|
| 1567 |
+
ATOM 157 C "C5'" . U A 1 10 ? 0.628 0.139 7.315 1.00 17.61 ? 10 U X "C5'" 1
|
| 1568 |
+
ATOM 158 C "C4'" . U A 1 10 ? 0.082 0.749 6.036 1.00 21.39 ? 10 U X "C4'" 1
|
| 1569 |
+
ATOM 159 O "O4'" . U A 1 10 ? 0.776 0.151 4.915 1.00 21.01 ? 10 U X "O4'" 1
|
| 1570 |
+
ATOM 160 C "C3'" . U A 1 10 ? -1.380 0.473 5.762 1.00 21.10 ? 10 U X "C3'" 1
|
| 1571 |
+
ATOM 161 O "O3'" . U A 1 10 ? -2.220 1.340 6.481 1.00 23.86 ? 10 U X "O3'" 1
|
| 1572 |
+
ATOM 162 C "C2'" . U A 1 10 ? -1.395 0.815 4.272 1.00 18.94 ? 10 U X "C2'" 1
|
| 1573 |
+
ATOM 163 O "O2'" . U A 1 10 ? -1.201 2.182 4.150 1.00 22.36 ? 10 U X "O2'" 1
|
| 1574 |
+
ATOM 164 C "C1'" . U A 1 10 ? -0.118 0.162 3.786 1.00 19.04 ? 10 U X "C1'" 1
|
| 1575 |
+
ATOM 165 N N1 . U A 1 10 ? -0.359 -1.223 3.399 1.00 18.49 ? 10 U X N1 1
|
| 1576 |
+
ATOM 166 C C2 . U A 1 10 ? -0.845 -1.456 2.077 1.00 19.89 ? 10 U X C2 1
|
| 1577 |
+
ATOM 167 O O2 . U A 1 10 ? -1.051 -0.489 1.378 1.00 22.31 ? 10 U X O2 1
|
| 1578 |
+
ATOM 168 N N3 . U A 1 10 ? -1.069 -2.756 1.715 1.00 19.58 ? 10 U X N3 1
|
| 1579 |
+
ATOM 169 C C4 . U A 1 10 ? -0.836 -3.884 2.464 1.00 19.46 ? 10 U X C4 1
|
| 1580 |
+
ATOM 170 O O4 . U A 1 10 ? -1.055 -5.029 2.065 1.00 21.23 ? 10 U X O4 1
|
| 1581 |
+
ATOM 171 C C5 . U A 1 10 ? -0.359 -3.594 3.832 1.00 20.45 ? 10 U X C5 1
|
| 1582 |
+
ATOM 172 C C6 . U A 1 10 ? -0.133 -2.329 4.212 1.00 21.38 ? 10 U X C6 1
|
| 1583 |
+
ATOM 173 P P . G A 1 11 ? -3.637 0.798 7.015 1.00 23.98 ? 11 G X P 1
|
| 1584 |
+
ATOM 174 O OP1 . G A 1 11 ? -4.273 1.871 7.786 1.00 28.67 ? 11 G X OP1 1
|
| 1585 |
+
ATOM 175 O OP2 . G A 1 11 ? -3.514 -0.601 7.409 1.00 21.97 ? 11 G X OP2 1
|
| 1586 |
+
ATOM 176 O "O5'" . G A 1 11 ? -4.476 0.726 5.572 1.00 21.33 ? 11 G X "O5'" 1
|
| 1587 |
+
ATOM 177 C "C5'" . G A 1 11 ? -4.868 1.908 5.017 1.00 21.86 ? 11 G X "C5'" 1
|
| 1588 |
+
ATOM 178 C "C4'" . G A 1 11 ? -5.314 1.624 3.581 1.00 21.90 ? 11 G X "C4'" 1
|
| 1589 |
+
ATOM 179 O "O4'" . G A 1 11 ? -4.250 0.977 2.860 1.00 23.45 ? 11 G X "O4'" 1
|
| 1590 |
+
ATOM 180 C "C3'" . G A 1 11 ? -6.481 0.676 3.427 1.00 20.81 ? 11 G X "C3'" 1
|
| 1591 |
+
ATOM 181 O "O3'" . G A 1 11 ? -7.700 1.372 3.647 1.00 22.42 ? 11 G X "O3'" 1
|
| 1592 |
+
ATOM 182 C "C2'" . G A 1 11 ? -6.310 0.310 1.961 1.00 21.96 ? 11 G X "C2'" 1
|
| 1593 |
+
ATOM 183 O "O2'" . G A 1 11 ? -6.596 1.359 1.061 1.00 23.29 ? 11 G X "O2'" 1
|
| 1594 |
+
ATOM 184 C "C1'" . G A 1 11 ? -4.800 0.039 1.939 1.00 20.09 ? 11 G X "C1'" 1
|
| 1595 |
+
ATOM 185 N N9 . G A 1 11 ? -4.532 -1.343 2.294 1.00 19.77 ? 11 G X N9 1
|
| 1596 |
+
ATOM 186 C C8 . G A 1 11 ? -4.036 -1.783 3.528 1.00 17.84 ? 11 G X C8 1
|
| 1597 |
+
ATOM 187 N N7 . G A 1 11 ? -3.940 -3.092 3.543 1.00 20.51 ? 11 G X N7 1
|
| 1598 |
+
ATOM 188 C C5 . G A 1 11 ? -4.392 -3.498 2.244 1.00 19.10 ? 11 G X C5 1
|
| 1599 |
+
ATOM 189 C C6 . G A 1 11 ? -4.538 -4.764 1.713 1.00 18.52 ? 11 G X C6 1
|
| 1600 |
+
ATOM 190 O O6 . G A 1 11 ? -4.265 -5.857 2.203 1.00 21.93 ? 11 G X O6 1
|
| 1601 |
+
ATOM 191 N N1 . G A 1 11 ? -5.088 -4.797 0.388 1.00 19.67 ? 11 G X N1 1
|
| 1602 |
+
ATOM 192 C C2 . G A 1 11 ? -5.427 -3.631 -0.227 1.00 18.81 ? 11 G X C2 1
|
| 1603 |
+
ATOM 193 N N2 . G A 1 11 ? -5.935 -3.823 -1.486 1.00 18.66 ? 11 G X N2 1
|
| 1604 |
+
ATOM 194 N N3 . G A 1 11 ? -5.275 -2.416 0.246 1.00 18.83 ? 11 G X N3 1
|
| 1605 |
+
ATOM 195 C C4 . G A 1 11 ? -4.779 -2.431 1.536 1.00 18.11 ? 11 G X C4 1
|
| 1606 |
+
ATOM 196 P P . A A 1 12 ? -9.019 0.595 4.005 1.00 22.52 ? 12 A X P 1
|
| 1607 |
+
ATOM 197 O OP1 . A A 1 12 ? -10.001 1.633 4.421 1.00 24.23 ? 12 A X OP1 1
|
| 1608 |
+
ATOM 198 O OP2 . A A 1 12 ? -8.705 -0.564 4.854 1.00 24.31 ? 12 A X OP2 1
|
| 1609 |
+
ATOM 199 O "O5'" . A A 1 12 ? -9.494 0.023 2.559 1.00 19.96 ? 12 A X "O5'" 1
|
| 1610 |
+
ATOM 200 C "C5'" . A A 1 12 ? -9.979 0.900 1.646 1.00 21.90 ? 12 A X "C5'" 1
|
| 1611 |
+
ATOM 201 C "C4'" . A A 1 12 ? -10.315 0.076 0.438 1.00 18.63 ? 12 A X "C4'" 1
|
| 1612 |
+
ATOM 202 O "O4'" . A A 1 12 ? -9.201 -0.656 -0.098 1.00 21.55 ? 12 A X "O4'" 1
|
| 1613 |
+
ATOM 203 C "C3'" . A A 1 12 ? -11.296 -1.079 0.684 1.00 20.41 ? 12 A X "C3'" 1
|
| 1614 |
+
ATOM 204 O "O3'" . A A 1 12 ? -12.579 -0.576 0.739 1.00 22.92 ? 12 A X "O3'" 1
|
| 1615 |
+
ATOM 205 C "C2'" . A A 1 12 ? -11.180 -1.945 -0.560 1.00 21.39 ? 12 A X "C2'" 1
|
| 1616 |
+
ATOM 206 O "O2'" . A A 1 12 ? -11.766 -1.266 -1.681 1.00 23.88 ? 12 A X "O2'" 1
|
| 1617 |
+
ATOM 207 C "C1'" . A A 1 12 ? -9.660 -1.930 -0.619 1.00 21.48 ? 12 A X "C1'" 1
|
| 1618 |
+
ATOM 208 N N9 . A A 1 12 ? -9.064 -3.010 0.150 1.00 20.13 ? 12 A X N9 1
|
| 1619 |
+
ATOM 209 C C8 . A A 1 12 ? -8.511 -2.905 1.437 1.00 19.61 ? 12 A X C8 1
|
| 1620 |
+
ATOM 210 N N7 . A A 1 12 ? -8.086 -4.054 1.870 1.00 19.85 ? 12 A X N7 1
|
| 1621 |
+
ATOM 211 C C5 . A A 1 12 ? -8.371 -4.971 0.863 1.00 20.46 ? 12 A X C5 1
|
| 1622 |
+
ATOM 212 C C6 . A A 1 12 ? -8.159 -6.377 0.741 1.00 20.77 ? 12 A X C6 1
|
| 1623 |
+
ATOM 213 N N6 . A A 1 12 ? -7.537 -7.077 1.670 1.00 20.96 ? 12 A X N6 1
|
| 1624 |
+
ATOM 214 N N1 . A A 1 12 ? -8.563 -6.999 -0.417 1.00 21.91 ? 12 A X N1 1
|
| 1625 |
+
ATOM 215 C C2 . A A 1 12 ? -9.201 -6.253 -1.323 1.00 19.22 ? 12 A X C2 1
|
| 1626 |
+
ATOM 216 N N3 . A A 1 12 ? -9.447 -4.926 -1.331 1.00 20.33 ? 12 A X N3 1
|
| 1627 |
+
ATOM 217 C C4 . A A 1 12 ? -9.010 -4.336 -0.181 1.00 19.09 ? 12 A X C4 1
|
| 1628 |
+
ATOM 218 P P . G A 1 13 ? -13.784 -1.173 1.644 1.00 21.79 ? 13 G X P 1
|
| 1629 |
+
ATOM 219 O OP1 . G A 1 13 ? -14.806 -0.102 1.709 1.00 21.50 ? 13 G X OP1 1
|
| 1630 |
+
ATOM 220 O OP2 . G A 1 13 ? -13.241 -1.617 2.957 1.00 22.49 ? 13 G X OP2 1
|
| 1631 |
+
ATOM 221 O "O5'" . G A 1 13 ? -14.270 -2.437 0.895 1.00 22.24 ? 13 G X "O5'" 1
|
| 1632 |
+
ATOM 222 C "C5'" . G A 1 13 ? -14.810 -2.256 -0.447 1.00 20.98 ? 13 G X "C5'" 1
|
| 1633 |
+
ATOM 223 C "C4'" . G A 1 13 ? -14.901 -3.607 -1.145 1.00 21.18 ? 13 G X "C4'" 1
|
| 1634 |
+
ATOM 224 O "O4'" . G A 1 13 ? -13.569 -4.106 -1.407 1.00 21.33 ? 13 G X "O4'" 1
|
| 1635 |
+
ATOM 225 C "C3'" . G A 1 13 ? -15.553 -4.773 -0.399 1.00 21.80 ? 13 G X "C3'" 1
|
| 1636 |
+
ATOM 226 O "O3'" . G A 1 13 ? -16.963 -4.667 -0.442 1.00 23.21 ? 13 G X "O3'" 1
|
| 1637 |
+
ATOM 227 C "C2'" . G A 1 13 ? -15.026 -5.943 -1.219 1.00 21.20 ? 13 G X "C2'" 1
|
| 1638 |
+
ATOM 228 O "O2'" . G A 1 13 ? -15.640 -5.984 -2.502 1.00 22.39 ? 13 G X "O2'" 1
|
| 1639 |
+
ATOM 229 C "C1'" . G A 1 13 ? -13.559 -5.523 -1.413 1.00 21.04 ? 13 G X "C1'" 1
|
| 1640 |
+
ATOM 230 N N9 . G A 1 13 ? -12.763 -5.916 -0.239 1.00 21.85 ? 13 G X N9 1
|
| 1641 |
+
ATOM 231 C C8 . G A 1 13 ? -12.367 -5.174 0.859 1.00 21.66 ? 13 G X C8 1
|
| 1642 |
+
ATOM 232 N N7 . G A 1 13 ? -11.670 -5.879 1.720 1.00 21.09 ? 13 G X N7 1
|
| 1643 |
+
ATOM 233 C C5 . G A 1 13 ? -11.627 -7.176 1.152 1.00 20.53 ? 13 G X C5 1
|
| 1644 |
+
ATOM 234 C C6 . G A 1 13 ? -11.035 -8.398 1.581 1.00 22.76 ? 13 G X C6 1
|
| 1645 |
+
ATOM 235 O O6 . G A 1 13 ? -10.379 -8.642 2.609 1.00 22.88 ? 13 G X O6 1
|
| 1646 |
+
ATOM 236 N N1 . G A 1 13 ? -11.233 -9.445 0.744 1.00 20.97 ? 13 G X N1 1
|
| 1647 |
+
ATOM 237 C C2 . G A 1 13 ? -11.919 -9.392 -0.425 1.00 20.60 ? 13 G X C2 1
|
| 1648 |
+
ATOM 238 N N2 . G A 1 13 ? -12.011 -10.568 -1.054 1.00 22.50 ? 13 G X N2 1
|
| 1649 |
+
ATOM 239 N N3 . G A 1 13 ? -12.473 -8.273 -0.878 1.00 22.09 ? 13 G X N3 1
|
| 1650 |
+
ATOM 240 C C4 . G A 1 13 ? -12.293 -7.219 -0.046 1.00 22.44 ? 13 G X C4 1
|
| 1651 |
+
ATOM 241 P P . G A 1 14 ? -17.850 -5.368 0.701 1.00 22.74 ? 14 G X P 1
|
| 1652 |
+
ATOM 242 O OP1 . G A 1 14 ? -19.247 -4.976 0.534 1.00 22.39 ? 14 G X OP1 1
|
| 1653 |
+
ATOM 243 O OP2 . G A 1 14 ? -17.225 -5.193 2.042 1.00 22.14 ? 14 G X OP2 1
|
| 1654 |
+
ATOM 244 O "O5'" . G A 1 14 ? -17.611 -6.930 0.436 1.00 21.39 ? 14 G X "O5'" 1
|
| 1655 |
+
ATOM 245 C "C5'" . G A 1 14 ? -18.147 -7.538 -0.769 1.00 20.25 ? 14 G X "C5'" 1
|
| 1656 |
+
ATOM 246 C "C4'" . G A 1 14 ? -17.826 -9.020 -0.879 1.00 20.56 ? 14 G X "C4'" 1
|
| 1657 |
+
ATOM 247 O "O4'" . G A 1 14 ? -16.385 -9.231 -0.919 1.00 21.44 ? 14 G X "O4'" 1
|
| 1658 |
+
ATOM 248 C "C3'" . G A 1 14 ? -18.241 -9.845 0.305 1.00 19.88 ? 14 G X "C3'" 1
|
| 1659 |
+
ATOM 249 O "O3'" . G A 1 14 ? -19.666 -10.046 0.350 1.00 20.06 ? 14 G X "O3'" 1
|
| 1660 |
+
ATOM 250 C "C2'" . G A 1 14 ? -17.398 -11.110 -0.031 1.00 20.89 ? 14 G X "C2'" 1
|
| 1661 |
+
ATOM 251 O "O2'" . G A 1 14 ? -17.938 -11.849 -1.115 1.00 22.28 ? 14 G X "O2'" 1
|
| 1662 |
+
ATOM 252 C "C1'" . G A 1 14 ? -16.048 -10.510 -0.448 1.00 19.93 ? 14 G X "C1'" 1
|
| 1663 |
+
ATOM 253 N N9 . G A 1 14 ? -15.189 -10.310 0.732 1.00 18.80 ? 14 G X N9 1
|
| 1664 |
+
ATOM 254 C C8 . G A 1 14 ? -14.882 -9.155 1.371 1.00 20.74 ? 14 G X C8 1
|
| 1665 |
+
ATOM 255 N N7 . G A 1 14 ? -14.114 -9.357 2.456 1.00 18.02 ? 14 G X N7 1
|
| 1666 |
+
ATOM 256 C C5 . G A 1 14 ? -13.861 -10.716 2.427 1.00 17.33 ? 14 G X C5 1
|
| 1667 |
+
ATOM 257 C C6 . G A 1 14 ? -13.111 -11.551 3.255 1.00 19.66 ? 14 G X C6 1
|
| 1668 |
+
ATOM 258 O O6 . G A 1 14 ? -12.404 -11.268 4.241 1.00 21.53 ? 14 G X O6 1
|
| 1669 |
+
ATOM 259 N N1 . G A 1 14 ? -13.174 -12.885 2.927 1.00 18.24 ? 14 G X N1 1
|
| 1670 |
+
ATOM 260 C C2 . G A 1 14 ? -13.859 -13.395 1.834 1.00 18.66 ? 14 G X C2 1
|
| 1671 |
+
ATOM 261 N N2 . G A 1 14 ? -13.839 -14.727 1.653 1.00 19.26 ? 14 G X N2 1
|
| 1672 |
+
ATOM 262 N N3 . G A 1 14 ? -14.555 -12.638 1.026 1.00 20.14 ? 14 G X N3 1
|
| 1673 |
+
ATOM 263 C C4 . G A 1 14 ? -14.514 -11.314 1.365 1.00 18.55 ? 14 G X C4 1
|
| 1674 |
+
ATOM 264 P P . C A 1 15 ? -20.312 -10.219 1.816 1.00 21.81 ? 15 C X P 1
|
| 1675 |
+
ATOM 265 O OP1 . C A 1 15 ? -21.758 -10.287 1.558 1.00 24.69 ? 15 C X OP1 1
|
| 1676 |
+
ATOM 266 O OP2 . C A 1 15 ? -19.819 -9.279 2.808 1.00 24.56 ? 15 C X OP2 1
|
| 1677 |
+
ATOM 267 O "O5'" . C A 1 15 ? -19.788 -11.622 2.285 1.00 20.01 ? 15 C X "O5'" 1
|
| 1678 |
+
ATOM 268 C "C5'" . C A 1 15 ? -20.151 -12.892 1.697 1.00 20.98 ? 15 C X "C5'" 1
|
| 1679 |
+
ATOM 269 C "C4'" . C A 1 15 ? -19.419 -14.048 2.355 1.00 17.15 ? 15 C X "C4'" 1
|
| 1680 |
+
ATOM 270 O "O4'" . C A 1 15 ? -17.972 -13.863 2.244 1.00 20.41 ? 15 C X "O4'" 1
|
| 1681 |
+
ATOM 271 C "C3'" . C A 1 15 ? -19.616 -14.060 3.859 1.00 17.63 ? 15 C X "C3'" 1
|
| 1682 |
+
ATOM 272 O "O3'" . C A 1 15 ? -20.862 -14.648 4.158 1.00 20.39 ? 15 C X "O3'" 1
|
| 1683 |
+
ATOM 273 C "C2'" . C A 1 15 ? -18.465 -14.944 4.236 1.00 18.05 ? 15 C X "C2'" 1
|
| 1684 |
+
ATOM 274 O "O2'" . C A 1 15 ? -18.690 -16.304 3.912 1.00 18.56 ? 15 C X "O2'" 1
|
| 1685 |
+
ATOM 275 C "C1'" . C A 1 15 ? -17.330 -14.371 3.405 1.00 19.30 ? 15 C X "C1'" 1
|
| 1686 |
+
ATOM 276 N N1 . C A 1 15 ? -16.646 -13.266 4.148 1.00 19.45 ? 15 C X N1 1
|
| 1687 |
+
ATOM 277 C C2 . C A 1 15 ? -15.671 -13.647 5.116 1.00 19.19 ? 15 C X C2 1
|
| 1688 |
+
ATOM 278 O O2 . C A 1 15 ? -15.411 -14.827 5.246 1.00 20.53 ? 15 C X O2 1
|
| 1689 |
+
ATOM 279 N N3 . C A 1 15 ? -15.047 -12.684 5.817 1.00 18.99 ? 15 C X N3 1
|
| 1690 |
+
ATOM 280 C C4 . C A 1 15 ? -15.377 -11.400 5.610 1.00 20.00 ? 15 C X C4 1
|
| 1691 |
+
ATOM 281 N N4 . C A 1 15 ? -14.762 -10.448 6.321 1.00 20.92 ? 15 C X N4 1
|
| 1692 |
+
ATOM 282 C C5 . C A 1 15 ? -16.379 -10.977 4.659 1.00 20.89 ? 15 C X C5 1
|
| 1693 |
+
ATOM 283 C C6 . C A 1 15 ? -17.008 -11.950 3.987 1.00 17.91 ? 15 C X C6 1
|
| 1694 |
+
ATOM 284 P P . C A 1 16 ? -21.660 -14.204 5.502 1.00 19.73 ? 16 C X P 1
|
| 1695 |
+
ATOM 285 O OP1 . C A 1 16 ? -23.011 -14.821 5.444 1.00 20.13 ? 16 C X OP1 1
|
| 1696 |
+
ATOM 286 O OP2 . C A 1 16 ? -21.584 -12.771 5.679 1.00 20.78 ? 16 C X OP2 1
|
| 1697 |
+
ATOM 287 O "O5'" . C A 1 16 ? -20.775 -14.869 6.653 1.00 21.19 ? 16 C X "O5'" 1
|
| 1698 |
+
ATOM 288 C "C5'" . C A 1 16 ? -20.645 -16.292 6.775 1.00 21.39 ? 16 C X "C5'" 1
|
| 1699 |
+
ATOM 289 C "C4'" . C A 1 16 ? -19.577 -16.658 7.788 1.00 22.39 ? 16 C X "C4'" 1
|
| 1700 |
+
ATOM 290 O "O4'" . C A 1 16 ? -18.360 -15.957 7.446 1.00 22.62 ? 16 C X "O4'" 1
|
| 1701 |
+
ATOM 291 C "C3'" . C A 1 16 ? -19.865 -16.066 9.166 1.00 25.53 ? 16 C X "C3'" 1
|
| 1702 |
+
ATOM 292 O "O3'" . C A 1 16 ? -20.830 -16.922 9.748 1.00 27.92 ? 16 C X "O3'" 1
|
| 1703 |
+
ATOM 293 C "C2'" . C A 1 16 ? -18.483 -16.221 9.803 1.00 24.66 ? 16 C X "C2'" 1
|
| 1704 |
+
ATOM 294 O "O2'" . C A 1 16 ? -18.264 -17.567 10.133 1.00 27.80 ? 16 C X "O2'" 1
|
| 1705 |
+
ATOM 295 C "C1'" . C A 1 16 ? -17.578 -15.797 8.653 1.00 22.45 ? 16 C X "C1'" 1
|
| 1706 |
+
ATOM 296 N N1 . C A 1 16 ? -17.214 -14.385 8.781 1.00 22.68 ? 16 C X N1 1
|
| 1707 |
+
ATOM 297 C C2 . C A 1 16 ? -16.171 -14.104 9.681 1.00 21.10 ? 16 C X C2 1
|
| 1708 |
+
ATOM 298 O O2 . C A 1 16 ? -15.671 -15.115 10.188 1.00 24.86 ? 16 C X O2 1
|
| 1709 |
+
ATOM 299 N N3 . C A 1 16 ? -15.803 -12.820 9.853 1.00 21.70 ? 16 C X N3 1
|
| 1710 |
+
ATOM 300 C C4 . C A 1 16 ? -16.454 -11.841 9.259 1.00 21.43 ? 16 C X C4 1
|
| 1711 |
+
ATOM 301 N N4 . C A 1 16 ? -16.071 -10.592 9.453 1.00 24.02 ? 16 C X N4 1
|
| 1712 |
+
ATOM 302 C C5 . C A 1 16 ? -17.540 -12.077 8.369 1.00 21.57 ? 16 C X C5 1
|
| 1713 |
+
ATOM 303 C C6 . C A 1 16 ? -17.870 -13.358 8.181 1.00 21.29 ? 16 C X C6 1
|
| 1714 |
+
HETATM 304 S S . SO4 B 2 . ? 2.769 -11.397 -0.187 0.50 44.54 ? 501 SO4 X S 1
|
| 1715 |
+
HETATM 305 O O1 . SO4 B 2 . ? 2.536 -9.985 0.040 0.50 44.27 ? 501 SO4 X O1 1
|
| 1716 |
+
HETATM 306 O O2 . SO4 B 2 . ? 4.089 -11.681 0.338 0.50 45.41 ? 501 SO4 X O2 1
|
| 1717 |
+
HETATM 307 O O3 . SO4 B 2 . ? 2.760 -11.706 -1.608 0.50 46.44 ? 501 SO4 X O3 1
|
| 1718 |
+
HETATM 308 O O4 . SO4 B 2 . ? 1.725 -12.191 0.453 0.50 44.63 ? 501 SO4 X O4 1
|
| 1719 |
+
HETATM 309 O O . HOH C 3 . ? -6.007 0.009 -1.180 1.00 22.56 ? 502 HOH X O 1
|
| 1720 |
+
HETATM 310 O O . HOH C 3 . ? -6.924 -2.038 -3.524 1.00 22.63 ? 503 HOH X O 1
|
| 1721 |
+
HETATM 311 O O . HOH C 3 . ? -19.999 -10.143 5.289 1.00 25.57 ? 504 HOH X O 1
|
| 1722 |
+
HETATM 312 O O . HOH C 3 . ? 10.238 -18.682 3.395 1.00 27.80 ? 505 HOH X O 1
|
| 1723 |
+
HETATM 313 O O . HOH C 3 . ? -23.897 -15.385 2.912 1.00 22.83 ? 506 HOH X O 1
|
| 1724 |
+
HETATM 314 O O . HOH C 3 . ? 13.044 -16.877 -3.545 1.00 23.59 ? 507 HOH X O 1
|
| 1725 |
+
HETATM 315 O O . HOH C 3 . ? -17.784 -4.878 -3.822 1.00 29.33 ? 508 HOH X O 1
|
| 1726 |
+
HETATM 316 O O . HOH C 3 . ? -20.461 -11.830 -1.942 1.00 34.12 ? 509 HOH X O 1
|
| 1727 |
+
HETATM 317 O O . HOH C 3 . ? -13.935 2.517 1.760 1.00 28.78 ? 510 HOH X O 1
|
| 1728 |
+
HETATM 318 O O . HOH C 3 . ? -17.478 -20.134 7.861 1.00 39.30 ? 511 HOH X O 1
|
| 1729 |
+
HETATM 319 O O . HOH C 3 . ? -11.664 -8.829 5.728 1.00 29.59 ? 512 HOH X O 1
|
| 1730 |
+
HETATM 320 O O . HOH C 3 . ? -17.709 -7.578 3.695 1.00 31.23 ? 513 HOH X O 1
|
| 1731 |
+
HETATM 321 O O . HOH C 3 . ? 12.756 -17.186 -13.490 1.00 33.78 ? 514 HOH X O 1
|
| 1732 |
+
HETATM 322 O O . HOH C 3 . ? 4.132 0.181 9.408 1.00 29.54 ? 515 HOH X O 1
|
| 1733 |
+
HETATM 323 O O . HOH C 3 . ? 6.396 -11.472 -5.275 1.00 39.24 ? 516 HOH X O 1
|
| 1734 |
+
HETATM 324 O O . HOH C 3 . ? -16.704 -17.486 5.455 1.00 27.20 ? 517 HOH X O 1
|
| 1735 |
+
HETATM 325 O O . HOH C 3 . ? -14.858 -4.917 3.176 1.00 41.99 ? 518 HOH X O 1
|
| 1736 |
+
HETATM 326 O O . HOH C 3 . ? -1.127 4.473 5.815 1.00 38.27 ? 519 HOH X O 1
|
| 1737 |
+
HETATM 327 O O . HOH C 3 . ? 0.396 -5.774 6.596 1.00 29.13 ? 520 HOH X O 1
|
| 1738 |
+
HETATM 328 O O . HOH C 3 . ? -13.108 -2.513 -3.972 1.00 36.36 ? 521 HOH X O 1
|
| 1739 |
+
HETATM 329 O O . HOH C 3 . ? -7.224 -2.749 4.630 1.00 38.25 ? 522 HOH X O 1
|
| 1740 |
+
HETATM 330 O O . HOH C 3 . ? -21.055 -4.623 2.237 1.00 38.99 ? 523 HOH X O 1
|
| 1741 |
+
HETATM 331 O O . HOH C 3 . ? -15.996 -7.609 6.009 1.00 36.47 ? 524 HOH X O 1
|
| 1742 |
+
HETATM 332 O O . HOH C 3 . ? -3.255 -5.409 5.362 1.00 42.72 ? 525 HOH X O 1
|
| 1743 |
+
HETATM 333 O O . HOH C 3 . ? -25.065 -13.239 6.223 1.00 37.09 ? 526 HOH X O 1
|
| 1744 |
+
HETATM 334 O O . HOH C 3 . ? -0.825 -7.319 3.181 1.00 36.65 ? 527 HOH X O 1
|
| 1745 |
+
HETATM 335 O O . HOH C 3 . ? -8.763 -7.763 4.909 1.00 38.86 ? 528 HOH X O 1
|
| 1746 |
+
HETATM 336 O O . HOH C 3 . ? -11.355 3.613 3.371 1.00 45.85 ? 529 HOH X O 1
|
| 1747 |
+
HETATM 337 O O . HOH C 3 . ? -19.669 -19.342 5.411 1.00 41.31 ? 530 HOH X O 1
|
| 1748 |
+
HETATM 338 O O . HOH C 3 . ? -13.572 -7.440 4.397 1.00 34.34 ? 531 HOH X O 1
|
| 1749 |
+
HETATM 339 O O . HOH C 3 . ? -21.399 -11.905 8.506 1.00 37.71 ? 532 HOH X O 1
|
| 1750 |
+
HETATM 340 O O . HOH C 3 . ? 11.150 -15.975 -15.199 1.00 39.84 ? 533 HOH X O 1
|
| 1751 |
+
HETATM 341 O O . HOH C 3 . ? -8.429 -0.208 7.358 1.00 47.42 ? 534 HOH X O 1
|
| 1752 |
+
HETATM 342 O O . HOH C 3 . ? -22.551 -13.569 9.885 1.00 41.30 ? 535 HOH X O 1
|
| 1753 |
+
HETATM 343 O O . HOH C 3 . ? -2.526 -3.045 6.676 1.00 43.41 ? 536 HOH X O 1
|
| 1754 |
+
HETATM 344 O O . HOH C 3 . ? 2.184 -8.217 4.028 1.00 41.19 ? 537 HOH X O 1
|
| 1755 |
+
HETATM 345 O O . HOH C 3 . ? 5.240 -10.943 -2.832 1.00 41.55 ? 538 HOH X O 1
|
| 1756 |
+
HETATM 346 O O . HOH C 3 . ? 3.543 -8.518 -1.869 1.00 37.59 ? 539 HOH X O 1
|
| 1757 |
+
HETATM 347 O O . HOH C 3 . ? -10.687 -3.854 -3.453 1.00 39.54 ? 540 HOH X O 1
|
| 1758 |
+
HETATM 348 O O . HOH C 3 . ? -21.038 -19.453 10.151 1.00 42.96 ? 541 HOH X O 1
|
| 1759 |
+
HETATM 349 O O . HOH C 3 . ? -14.976 -8.244 -3.893 1.00 44.44 ? 542 HOH X O 1
|
| 1760 |
+
HETATM 350 O O . HOH C 3 . ? 6.263 -14.484 -5.487 1.00 43.75 ? 543 HOH X O 1
|
| 1761 |
+
HETATM 351 O O . HOH C 3 . ? -15.490 -17.935 11.345 1.00 47.39 ? 544 HOH X O 1
|
| 1762 |
+
HETATM 352 O O . HOH C 3 . ? -2.711 -0.747 10.186 1.00 47.84 ? 545 HOH X O 1
|
| 1763 |
+
HETATM 353 O O . HOH C 3 . ? -1.445 4.126 1.640 1.00 48.85 ? 546 HOH X O 1
|
| 1764 |
+
HETATM 354 O O . HOH C 3 . ? -12.018 -6.141 6.415 1.00 52.20 ? 547 HOH X O 1
|
| 1765 |
+
HETATM 355 O O . HOH C 3 . ? 5.236 -14.885 -1.203 1.00 42.03 ? 548 HOH X O 1
|
| 1766 |
+
HETATM 356 O O . HOH C 3 . ? -21.802 -7.113 3.409 1.00 43.36 ? 549 HOH X O 1
|
| 1767 |
+
HETATM 357 O O . HOH C 3 . ? 3.367 -15.087 4.484 1.00 46.77 ? 550 HOH X O 1
|
| 1768 |
+
HETATM 358 O O . HOH C 3 . ? -6.743 -6.151 4.128 1.00 45.15 ? 551 HOH X O 1
|
| 1769 |
+
HETATM 359 O O . HOH C 3 . ? 6.346 -12.148 -9.862 1.00 47.71 ? 552 HOH X O 1
|
| 1770 |
+
HETATM 360 O O . HOH C 3 . ? 8.789 -11.916 8.643 1.00 47.16 ? 553 HOH X O 1
|
| 1771 |
+
HETATM 361 O O . HOH C 3 . ? -2.769 2.179 -1.703 1.00 53.02 ? 554 HOH X O 1
|
| 1772 |
+
HETATM 362 O O . HOH C 3 . ? 6.739 -7.514 10.761 1.00 44.99 ? 555 HOH X O 1
|
| 1773 |
+
HETATM 363 O O . HOH C 3 . ? -13.716 -10.884 -3.512 1.00 42.39 ? 556 HOH X O 1
|
| 1774 |
+
HETATM 364 O O . HOH C 3 . ? -12.063 -5.834 -4.953 1.00 48.44 ? 557 HOH X O 1
|
| 1775 |
+
HETATM 365 O O . HOH C 3 . ? 0.737 -5.420 10.637 1.00 48.38 ? 558 HOH X O 1
|
| 1776 |
+
HETATM 366 O O . HOH C 3 . ? 3.433 -1.791 11.147 1.00 50.65 ? 559 HOH X O 1
|
| 1777 |
+
HETATM 367 O O . HOH C 3 . ? -21.150 -5.950 -1.393 1.00 47.01 ? 560 HOH X O 1
|
| 1778 |
+
HETATM 368 O O . HOH C 3 . ? -12.212 -7.902 -3.711 1.00 50.84 ? 561 HOH X O 1
|
| 1779 |
+
HETATM 369 O O . HOH C 3 . ? -1.217 1.613 0.134 1.00 48.86 ? 562 HOH X O 1
|
| 1780 |
+
HETATM 370 O O . HOH C 3 . ? -10.933 -2.533 4.042 1.00 47.09 ? 563 HOH X O 1
|
| 1781 |
+
HETATM 371 O O . HOH C 3 . ? -11.103 -5.743 4.110 1.00 47.01 ? 564 HOH X O 1
|
| 1782 |
+
HETATM 372 O O . HOH C 3 . ? -23.408 -11.015 3.871 1.00 50.90 ? 565 HOH X O 1
|
| 1783 |
+
HETATM 373 O O . HOH C 3 . ? 8.317 -19.411 4.631 1.00 54.42 ? 566 HOH X O 1
|
| 1784 |
+
HETATM 374 O O . HOH C 3 . ? -20.349 -9.438 8.398 1.00 50.36 ? 567 HOH X O 1
|
| 1785 |
+
HETATM 375 O O . HOH C 3 . ? 1.383 -8.561 1.235 1.00 38.08 ? 568 HOH X O 1
|
| 1786 |
+
HETATM 376 O O . HOH C 3 . ? -18.108 -8.851 -4.405 1.00 40.00 ? 569 HOH X O 1
|
| 1787 |
+
HETATM 377 O O . HOH C 3 . ? -21.400 -15.489 11.860 1.00 42.00 ? 570 HOH X O 1
|
| 1788 |
+
#
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