Add files using upload-large-folder tool
Browse files- structures/2atw.cif +0 -0
- structures/2xxa.cif +0 -0
- structures/4kq0.cif +0 -0
- structures/4p3s.cif +0 -0
- structures/4wc3.cif +0 -0
- structures/5xwg.cif +1829 -0
- structures/6dzk.cif +0 -0
- structures/6f4h.cif +0 -0
- structures/6hmo.cif +0 -0
- structures/6o1m.cif +0 -0
- structures/6q57.cif +0 -0
- structures/6xjw.cif +0 -0
- structures/7ecv.cif +0 -0
- structures/7py6.cif +0 -0
- structures/7r4x.cif +0 -0
- structures/7r7c.cif +0 -0
structures/2atw.cif
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The diff for this file is too large to render.
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structures/2xxa.cif
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The diff for this file is too large to render.
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structures/4kq0.cif
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The diff for this file is too large to render.
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structures/4p3s.cif
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The diff for this file is too large to render.
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structures/4wc3.cif
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The diff for this file is too large to render.
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structures/5xwg.cif
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@@ -0,0 +1,1829 @@
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
data_5XWG
|
| 2 |
+
#
|
| 3 |
+
_entry.id 5XWG
|
| 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 5XWG pdb_00005xwg 10.2210/pdb5xwg/pdb
|
| 15 |
+
WWPDB D_1300004290 ? ?
|
| 16 |
+
#
|
| 17 |
+
loop_
|
| 18 |
+
_pdbx_audit_revision_history.ordinal
|
| 19 |
+
_pdbx_audit_revision_history.data_content_type
|
| 20 |
+
_pdbx_audit_revision_history.major_revision
|
| 21 |
+
_pdbx_audit_revision_history.minor_revision
|
| 22 |
+
_pdbx_audit_revision_history.revision_date
|
| 23 |
+
1 'Structure model' 1 0 2017-10-11
|
| 24 |
+
2 'Structure model' 1 1 2024-03-27
|
| 25 |
+
#
|
| 26 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 27 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 28 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 29 |
+
_pdbx_audit_revision_details.provider repository
|
| 30 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 31 |
+
_pdbx_audit_revision_details.description ?
|
| 32 |
+
_pdbx_audit_revision_details.details ?
|
| 33 |
+
#
|
| 34 |
+
loop_
|
| 35 |
+
_pdbx_audit_revision_group.ordinal
|
| 36 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 37 |
+
_pdbx_audit_revision_group.data_content_type
|
| 38 |
+
_pdbx_audit_revision_group.group
|
| 39 |
+
1 2 'Structure model' 'Data collection'
|
| 40 |
+
2 2 'Structure model' 'Database references'
|
| 41 |
+
#
|
| 42 |
+
loop_
|
| 43 |
+
_pdbx_audit_revision_category.ordinal
|
| 44 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 45 |
+
_pdbx_audit_revision_category.data_content_type
|
| 46 |
+
_pdbx_audit_revision_category.category
|
| 47 |
+
1 2 'Structure model' chem_comp_atom
|
| 48 |
+
2 2 'Structure model' chem_comp_bond
|
| 49 |
+
3 2 'Structure model' database_2
|
| 50 |
+
#
|
| 51 |
+
loop_
|
| 52 |
+
_pdbx_audit_revision_item.ordinal
|
| 53 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 54 |
+
_pdbx_audit_revision_item.data_content_type
|
| 55 |
+
_pdbx_audit_revision_item.item
|
| 56 |
+
1 2 'Structure model' '_database_2.pdbx_DOI'
|
| 57 |
+
2 2 'Structure model' '_database_2.pdbx_database_accession'
|
| 58 |
+
#
|
| 59 |
+
_pdbx_database_status.status_code REL
|
| 60 |
+
_pdbx_database_status.status_code_sf REL
|
| 61 |
+
_pdbx_database_status.status_code_mr ?
|
| 62 |
+
_pdbx_database_status.entry_id 5XWG
|
| 63 |
+
_pdbx_database_status.recvd_initial_deposition_date 2017-06-29
|
| 64 |
+
_pdbx_database_status.SG_entry N
|
| 65 |
+
_pdbx_database_status.deposit_site PDBJ
|
| 66 |
+
_pdbx_database_status.process_site PDBJ
|
| 67 |
+
_pdbx_database_status.status_code_cs ?
|
| 68 |
+
_pdbx_database_status.methods_development_category ?
|
| 69 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 70 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 71 |
+
#
|
| 72 |
+
loop_
|
| 73 |
+
_audit_author.name
|
| 74 |
+
_audit_author.pdbx_ordinal
|
| 75 |
+
_audit_author.identifier_ORCID
|
| 76 |
+
'Kanazawa, H.' 1 ?
|
| 77 |
+
'Kondo, J.' 2 ?
|
| 78 |
+
#
|
| 79 |
+
_citation.abstract ?
|
| 80 |
+
_citation.abstract_id_CAS ?
|
| 81 |
+
_citation.book_id_ISBN ?
|
| 82 |
+
_citation.book_publisher ?
|
| 83 |
+
_citation.book_publisher_city ?
|
| 84 |
+
_citation.book_title ?
|
| 85 |
+
_citation.coordinate_linkage ?
|
| 86 |
+
_citation.country US
|
| 87 |
+
_citation.database_id_Medline ?
|
| 88 |
+
_citation.details ?
|
| 89 |
+
_citation.id primary
|
| 90 |
+
_citation.journal_abbrev 'J. Inorg. Biochem.'
|
| 91 |
+
_citation.journal_id_ASTM JIBIDJ
|
| 92 |
+
_citation.journal_id_CSD 0525
|
| 93 |
+
_citation.journal_id_ISSN 1873-3344
|
| 94 |
+
_citation.journal_full ?
|
| 95 |
+
_citation.journal_issue ?
|
| 96 |
+
_citation.journal_volume 176
|
| 97 |
+
_citation.language ?
|
| 98 |
+
_citation.page_first 140
|
| 99 |
+
_citation.page_last 143
|
| 100 |
+
_citation.title
|
| 101 |
+
'Crystal structure of a novel RNA motif that allows for precise positioning of a single metal ion.'
|
| 102 |
+
_citation.year 2017
|
| 103 |
+
_citation.database_id_CSD ?
|
| 104 |
+
_citation.pdbx_database_id_DOI 10.1016/j.jinorgbio.2017.08.029
|
| 105 |
+
_citation.pdbx_database_id_PubMed 28898762
|
| 106 |
+
_citation.unpublished_flag ?
|
| 107 |
+
#
|
| 108 |
+
loop_
|
| 109 |
+
_citation_author.citation_id
|
| 110 |
+
_citation_author.name
|
| 111 |
+
_citation_author.ordinal
|
| 112 |
+
_citation_author.identifier_ORCID
|
| 113 |
+
primary 'Kanazawa, H.' 1 ?
|
| 114 |
+
primary 'Kondo, J.' 2 ?
|
| 115 |
+
#
|
| 116 |
+
loop_
|
| 117 |
+
_entity.id
|
| 118 |
+
_entity.type
|
| 119 |
+
_entity.src_method
|
| 120 |
+
_entity.pdbx_description
|
| 121 |
+
_entity.formula_weight
|
| 122 |
+
_entity.pdbx_number_of_molecules
|
| 123 |
+
_entity.pdbx_ec
|
| 124 |
+
_entity.pdbx_mutation
|
| 125 |
+
_entity.pdbx_fragment
|
| 126 |
+
_entity.details
|
| 127 |
+
1 polymer syn
|
| 128 |
+
;RNA (5'-R(P*CP*GP*CP*UP*(5BU)P*CP*GP*AP*AP*AP*AP*AP*GP*UP*C)-3')
|
| 129 |
+
;
|
| 130 |
+
4854.810 1 ? ? ? ?
|
| 131 |
+
2 non-polymer syn 'STRONTIUM ION' 87.620 3 ? ? ? ?
|
| 132 |
+
#
|
| 133 |
+
_entity_poly.entity_id 1
|
| 134 |
+
_entity_poly.type polyribonucleotide
|
| 135 |
+
_entity_poly.nstd_linkage no
|
| 136 |
+
_entity_poly.nstd_monomer yes
|
| 137 |
+
_entity_poly.pdbx_seq_one_letter_code 'CGCU(5BU)CGAAAAAGUC'
|
| 138 |
+
_entity_poly.pdbx_seq_one_letter_code_can CGCUUCGAAAAAGUC
|
| 139 |
+
_entity_poly.pdbx_strand_id A
|
| 140 |
+
_entity_poly.pdbx_target_identifier ?
|
| 141 |
+
#
|
| 142 |
+
_pdbx_entity_nonpoly.entity_id 2
|
| 143 |
+
_pdbx_entity_nonpoly.name 'STRONTIUM ION'
|
| 144 |
+
_pdbx_entity_nonpoly.comp_id SR
|
| 145 |
+
#
|
| 146 |
+
loop_
|
| 147 |
+
_entity_poly_seq.entity_id
|
| 148 |
+
_entity_poly_seq.num
|
| 149 |
+
_entity_poly_seq.mon_id
|
| 150 |
+
_entity_poly_seq.hetero
|
| 151 |
+
1 1 C n
|
| 152 |
+
1 2 G n
|
| 153 |
+
1 3 C n
|
| 154 |
+
1 4 U n
|
| 155 |
+
1 5 5BU n
|
| 156 |
+
1 6 C n
|
| 157 |
+
1 7 G n
|
| 158 |
+
1 8 A n
|
| 159 |
+
1 9 A n
|
| 160 |
+
1 10 A n
|
| 161 |
+
1 11 A n
|
| 162 |
+
1 12 A n
|
| 163 |
+
1 13 G n
|
| 164 |
+
1 14 U n
|
| 165 |
+
1 15 C n
|
| 166 |
+
#
|
| 167 |
+
_pdbx_entity_src_syn.entity_id 1
|
| 168 |
+
_pdbx_entity_src_syn.pdbx_src_id 1
|
| 169 |
+
_pdbx_entity_src_syn.pdbx_alt_source_flag sample
|
| 170 |
+
_pdbx_entity_src_syn.pdbx_beg_seq_num 1
|
| 171 |
+
_pdbx_entity_src_syn.pdbx_end_seq_num 15
|
| 172 |
+
_pdbx_entity_src_syn.organism_scientific 'synthetic construct'
|
| 173 |
+
_pdbx_entity_src_syn.organism_common_name ?
|
| 174 |
+
_pdbx_entity_src_syn.ncbi_taxonomy_id 32630
|
| 175 |
+
_pdbx_entity_src_syn.details ?
|
| 176 |
+
#
|
| 177 |
+
loop_
|
| 178 |
+
_chem_comp.id
|
| 179 |
+
_chem_comp.type
|
| 180 |
+
_chem_comp.mon_nstd_flag
|
| 181 |
+
_chem_comp.name
|
| 182 |
+
_chem_comp.pdbx_synonyms
|
| 183 |
+
_chem_comp.formula
|
| 184 |
+
_chem_comp.formula_weight
|
| 185 |
+
5BU 'RNA linking' n "5-BROMO-URIDINE-5'-MONOPHOSPHATE" ? 'C9 H12 Br N2 O9 P' 403.077
|
| 186 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 187 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 188 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 189 |
+
SR non-polymer . 'STRONTIUM ION' ? 'Sr 2' 87.620
|
| 190 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 191 |
+
#
|
| 192 |
+
loop_
|
| 193 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 194 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 195 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 196 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 197 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 198 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 199 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 200 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 201 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 202 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 203 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 204 |
+
_pdbx_poly_seq_scheme.hetero
|
| 205 |
+
A 1 1 C 1 5 5 C C A . n
|
| 206 |
+
A 1 2 G 2 6 6 G G A . n
|
| 207 |
+
A 1 3 C 3 7 7 C C A . n
|
| 208 |
+
A 1 4 U 4 8 8 U U A . n
|
| 209 |
+
A 1 5 5BU 5 9 9 5BU 5BU A . n
|
| 210 |
+
A 1 6 C 6 10 10 C C A . n
|
| 211 |
+
A 1 7 G 7 11 11 G G A . n
|
| 212 |
+
A 1 8 A 8 12 12 A A A . n
|
| 213 |
+
A 1 9 A 9 13 13 A A A . n
|
| 214 |
+
A 1 10 A 10 14 14 A A A . n
|
| 215 |
+
A 1 11 A 11 15 15 A A A . n
|
| 216 |
+
A 1 12 A 12 16 16 A A A . n
|
| 217 |
+
A 1 13 G 13 17 17 G G A . n
|
| 218 |
+
A 1 14 U 14 18 18 U U A . n
|
| 219 |
+
A 1 15 C 15 19 19 C C A . n
|
| 220 |
+
#
|
| 221 |
+
loop_
|
| 222 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 223 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 224 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 225 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 226 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 227 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 228 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 229 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 230 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 231 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 232 |
+
B 2 SR 1 101 50 SR SR A .
|
| 233 |
+
C 2 SR 1 102 51 SR SR A .
|
| 234 |
+
D 2 SR 1 103 52 SR SR A .
|
| 235 |
+
#
|
| 236 |
+
loop_
|
| 237 |
+
_software.citation_id
|
| 238 |
+
_software.classification
|
| 239 |
+
_software.compiler_name
|
| 240 |
+
_software.compiler_version
|
| 241 |
+
_software.contact_author
|
| 242 |
+
_software.contact_author_email
|
| 243 |
+
_software.date
|
| 244 |
+
_software.description
|
| 245 |
+
_software.dependencies
|
| 246 |
+
_software.hardware
|
| 247 |
+
_software.language
|
| 248 |
+
_software.location
|
| 249 |
+
_software.mods
|
| 250 |
+
_software.name
|
| 251 |
+
_software.os
|
| 252 |
+
_software.os_version
|
| 253 |
+
_software.type
|
| 254 |
+
_software.version
|
| 255 |
+
_software.pdbx_ordinal
|
| 256 |
+
? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALA ? ? ? . 1
|
| 257 |
+
? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.8.3_1479 2
|
| 258 |
+
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.22 3
|
| 259 |
+
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrystalClear ? ? ? . 4
|
| 260 |
+
? phasing ? ? ? ? ? ? ? ? ? ? ? AutoSol ? ? ? . 5
|
| 261 |
+
#
|
| 262 |
+
_cell.angle_alpha 90.000
|
| 263 |
+
_cell.angle_alpha_esd ?
|
| 264 |
+
_cell.angle_beta 90.000
|
| 265 |
+
_cell.angle_beta_esd ?
|
| 266 |
+
_cell.angle_gamma 90.000
|
| 267 |
+
_cell.angle_gamma_esd ?
|
| 268 |
+
_cell.entry_id 5XWG
|
| 269 |
+
_cell.details ?
|
| 270 |
+
_cell.formula_units_Z ?
|
| 271 |
+
_cell.length_a 80.544
|
| 272 |
+
_cell.length_a_esd ?
|
| 273 |
+
_cell.length_b 80.544
|
| 274 |
+
_cell.length_b_esd ?
|
| 275 |
+
_cell.length_c 80.544
|
| 276 |
+
_cell.length_c_esd ?
|
| 277 |
+
_cell.volume ?
|
| 278 |
+
_cell.volume_esd ?
|
| 279 |
+
_cell.Z_PDB 24
|
| 280 |
+
_cell.reciprocal_angle_alpha ?
|
| 281 |
+
_cell.reciprocal_angle_beta ?
|
| 282 |
+
_cell.reciprocal_angle_gamma ?
|
| 283 |
+
_cell.reciprocal_angle_alpha_esd ?
|
| 284 |
+
_cell.reciprocal_angle_beta_esd ?
|
| 285 |
+
_cell.reciprocal_angle_gamma_esd ?
|
| 286 |
+
_cell.reciprocal_length_a ?
|
| 287 |
+
_cell.reciprocal_length_b ?
|
| 288 |
+
_cell.reciprocal_length_c ?
|
| 289 |
+
_cell.reciprocal_length_a_esd ?
|
| 290 |
+
_cell.reciprocal_length_b_esd ?
|
| 291 |
+
_cell.reciprocal_length_c_esd ?
|
| 292 |
+
_cell.pdbx_unique_axis ?
|
| 293 |
+
#
|
| 294 |
+
_symmetry.entry_id 5XWG
|
| 295 |
+
_symmetry.cell_setting ?
|
| 296 |
+
_symmetry.Int_Tables_number 199
|
| 297 |
+
_symmetry.space_group_name_Hall ?
|
| 298 |
+
_symmetry.space_group_name_H-M 'I 21 3'
|
| 299 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 300 |
+
#
|
| 301 |
+
_exptl.absorpt_coefficient_mu ?
|
| 302 |
+
_exptl.absorpt_correction_T_max ?
|
| 303 |
+
_exptl.absorpt_correction_T_min ?
|
| 304 |
+
_exptl.absorpt_correction_type ?
|
| 305 |
+
_exptl.absorpt_process_details ?
|
| 306 |
+
_exptl.entry_id 5XWG
|
| 307 |
+
_exptl.crystals_number 1
|
| 308 |
+
_exptl.details ?
|
| 309 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 310 |
+
_exptl.method_details ?
|
| 311 |
+
#
|
| 312 |
+
_exptl_crystal.colour ?
|
| 313 |
+
_exptl_crystal.density_diffrn ?
|
| 314 |
+
_exptl_crystal.density_Matthews 4.48
|
| 315 |
+
_exptl_crystal.density_method ?
|
| 316 |
+
_exptl_crystal.density_percent_sol 72.57
|
| 317 |
+
_exptl_crystal.description 'The entry contains friedel pairs in F_plus/minus columns and I_plus/minus columns'
|
| 318 |
+
_exptl_crystal.F_000 ?
|
| 319 |
+
_exptl_crystal.id 1
|
| 320 |
+
_exptl_crystal.preparation ?
|
| 321 |
+
_exptl_crystal.size_max ?
|
| 322 |
+
_exptl_crystal.size_mid ?
|
| 323 |
+
_exptl_crystal.size_min ?
|
| 324 |
+
_exptl_crystal.size_rad ?
|
| 325 |
+
_exptl_crystal.colour_lustre ?
|
| 326 |
+
_exptl_crystal.colour_modifier ?
|
| 327 |
+
_exptl_crystal.colour_primary ?
|
| 328 |
+
_exptl_crystal.density_meas ?
|
| 329 |
+
_exptl_crystal.density_meas_esd ?
|
| 330 |
+
_exptl_crystal.density_meas_gt ?
|
| 331 |
+
_exptl_crystal.density_meas_lt ?
|
| 332 |
+
_exptl_crystal.density_meas_temp ?
|
| 333 |
+
_exptl_crystal.density_meas_temp_esd ?
|
| 334 |
+
_exptl_crystal.density_meas_temp_gt ?
|
| 335 |
+
_exptl_crystal.density_meas_temp_lt ?
|
| 336 |
+
_exptl_crystal.pdbx_crystal_image_url ?
|
| 337 |
+
_exptl_crystal.pdbx_crystal_image_format ?
|
| 338 |
+
_exptl_crystal.pdbx_mosaicity ?
|
| 339 |
+
_exptl_crystal.pdbx_mosaicity_esd ?
|
| 340 |
+
#
|
| 341 |
+
_exptl_crystal_grow.apparatus ?
|
| 342 |
+
_exptl_crystal_grow.atmosphere ?
|
| 343 |
+
_exptl_crystal_grow.crystal_id 1
|
| 344 |
+
_exptl_crystal_grow.details ?
|
| 345 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP'
|
| 346 |
+
_exptl_crystal_grow.method_ref ?
|
| 347 |
+
_exptl_crystal_grow.pH ?
|
| 348 |
+
_exptl_crystal_grow.pressure ?
|
| 349 |
+
_exptl_crystal_grow.pressure_esd ?
|
| 350 |
+
_exptl_crystal_grow.seeding ?
|
| 351 |
+
_exptl_crystal_grow.seeding_ref ?
|
| 352 |
+
_exptl_crystal_grow.temp 293
|
| 353 |
+
_exptl_crystal_grow.temp_details ?
|
| 354 |
+
_exptl_crystal_grow.temp_esd ?
|
| 355 |
+
_exptl_crystal_grow.time ?
|
| 356 |
+
_exptl_crystal_grow.pdbx_details 'sodium cacodylate, spermine tetrahydrochloride, 2-methyl-2,4-pentanediol, strontium chloride'
|
| 357 |
+
_exptl_crystal_grow.pdbx_pH_range ?
|
| 358 |
+
#
|
| 359 |
+
_diffrn.ambient_environment ?
|
| 360 |
+
_diffrn.ambient_temp 100
|
| 361 |
+
_diffrn.ambient_temp_details ?
|
| 362 |
+
_diffrn.ambient_temp_esd ?
|
| 363 |
+
_diffrn.crystal_id 1
|
| 364 |
+
_diffrn.crystal_support ?
|
| 365 |
+
_diffrn.crystal_treatment ?
|
| 366 |
+
_diffrn.details ?
|
| 367 |
+
_diffrn.id 1
|
| 368 |
+
_diffrn.ambient_pressure ?
|
| 369 |
+
_diffrn.ambient_pressure_esd ?
|
| 370 |
+
_diffrn.ambient_pressure_gt ?
|
| 371 |
+
_diffrn.ambient_pressure_lt ?
|
| 372 |
+
_diffrn.ambient_temp_gt ?
|
| 373 |
+
_diffrn.ambient_temp_lt ?
|
| 374 |
+
#
|
| 375 |
+
_diffrn_detector.details ?
|
| 376 |
+
_diffrn_detector.detector CCD
|
| 377 |
+
_diffrn_detector.diffrn_id 1
|
| 378 |
+
_diffrn_detector.type 'ADSC QUANTUM 315r'
|
| 379 |
+
_diffrn_detector.area_resol_mean ?
|
| 380 |
+
_diffrn_detector.dtime ?
|
| 381 |
+
_diffrn_detector.pdbx_frames_total ?
|
| 382 |
+
_diffrn_detector.pdbx_collection_time_total ?
|
| 383 |
+
_diffrn_detector.pdbx_collection_date 2013-10-27
|
| 384 |
+
#
|
| 385 |
+
_diffrn_radiation.collimation ?
|
| 386 |
+
_diffrn_radiation.diffrn_id 1
|
| 387 |
+
_diffrn_radiation.filter_edge ?
|
| 388 |
+
_diffrn_radiation.inhomogeneity ?
|
| 389 |
+
_diffrn_radiation.monochromator ?
|
| 390 |
+
_diffrn_radiation.polarisn_norm ?
|
| 391 |
+
_diffrn_radiation.polarisn_ratio ?
|
| 392 |
+
_diffrn_radiation.probe ?
|
| 393 |
+
_diffrn_radiation.type ?
|
| 394 |
+
_diffrn_radiation.xray_symbol ?
|
| 395 |
+
_diffrn_radiation.wavelength_id 1
|
| 396 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 397 |
+
_diffrn_radiation.pdbx_wavelength_list ?
|
| 398 |
+
_diffrn_radiation.pdbx_wavelength ?
|
| 399 |
+
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
|
| 400 |
+
_diffrn_radiation.pdbx_analyzer ?
|
| 401 |
+
_diffrn_radiation.pdbx_scattering_type x-ray
|
| 402 |
+
#
|
| 403 |
+
_diffrn_radiation_wavelength.id 1
|
| 404 |
+
_diffrn_radiation_wavelength.wavelength 0.91972
|
| 405 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 406 |
+
#
|
| 407 |
+
_diffrn_source.current ?
|
| 408 |
+
_diffrn_source.details ?
|
| 409 |
+
_diffrn_source.diffrn_id 1
|
| 410 |
+
_diffrn_source.power ?
|
| 411 |
+
_diffrn_source.size ?
|
| 412 |
+
_diffrn_source.source SYNCHROTRON
|
| 413 |
+
_diffrn_source.target ?
|
| 414 |
+
_diffrn_source.type 'PHOTON FACTORY BEAMLINE BL-5A'
|
| 415 |
+
_diffrn_source.voltage ?
|
| 416 |
+
_diffrn_source.take-off_angle ?
|
| 417 |
+
_diffrn_source.pdbx_wavelength_list 0.91972
|
| 418 |
+
_diffrn_source.pdbx_wavelength ?
|
| 419 |
+
_diffrn_source.pdbx_synchrotron_beamline BL-5A
|
| 420 |
+
_diffrn_source.pdbx_synchrotron_site 'Photon Factory'
|
| 421 |
+
#
|
| 422 |
+
_reflns.B_iso_Wilson_estimate 101.310
|
| 423 |
+
_reflns.entry_id 5XWG
|
| 424 |
+
_reflns.data_reduction_details ?
|
| 425 |
+
_reflns.data_reduction_method ?
|
| 426 |
+
_reflns.d_resolution_high 3.002
|
| 427 |
+
_reflns.d_resolution_low 56.953
|
| 428 |
+
_reflns.details ?
|
| 429 |
+
_reflns.limit_h_max ?
|
| 430 |
+
_reflns.limit_h_min ?
|
| 431 |
+
_reflns.limit_k_max ?
|
| 432 |
+
_reflns.limit_k_min ?
|
| 433 |
+
_reflns.limit_l_max ?
|
| 434 |
+
_reflns.limit_l_min ?
|
| 435 |
+
_reflns.number_all ?
|
| 436 |
+
_reflns.number_obs 3373
|
| 437 |
+
_reflns.observed_criterion ?
|
| 438 |
+
_reflns.observed_criterion_F_max ?
|
| 439 |
+
_reflns.observed_criterion_F_min ?
|
| 440 |
+
_reflns.observed_criterion_I_max ?
|
| 441 |
+
_reflns.observed_criterion_I_min ?
|
| 442 |
+
_reflns.observed_criterion_sigma_F ?
|
| 443 |
+
_reflns.observed_criterion_sigma_I ?
|
| 444 |
+
_reflns.percent_possible_obs 99.6
|
| 445 |
+
_reflns.R_free_details ?
|
| 446 |
+
_reflns.Rmerge_F_all ?
|
| 447 |
+
_reflns.Rmerge_F_obs ?
|
| 448 |
+
_reflns.Friedel_coverage ?
|
| 449 |
+
_reflns.number_gt ?
|
| 450 |
+
_reflns.threshold_expression ?
|
| 451 |
+
_reflns.pdbx_redundancy 11.1
|
| 452 |
+
_reflns.pdbx_Rmerge_I_obs ?
|
| 453 |
+
_reflns.pdbx_Rmerge_I_all ?
|
| 454 |
+
_reflns.pdbx_Rsym_value ?
|
| 455 |
+
_reflns.pdbx_netI_over_av_sigmaI ?
|
| 456 |
+
_reflns.pdbx_netI_over_sigmaI 19.3
|
| 457 |
+
_reflns.pdbx_res_netI_over_av_sigmaI_2 ?
|
| 458 |
+
_reflns.pdbx_res_netI_over_sigmaI_2 ?
|
| 459 |
+
_reflns.pdbx_chi_squared ?
|
| 460 |
+
_reflns.pdbx_scaling_rejects ?
|
| 461 |
+
_reflns.pdbx_d_res_high_opt ?
|
| 462 |
+
_reflns.pdbx_d_res_low_opt ?
|
| 463 |
+
_reflns.pdbx_d_res_opt_method ?
|
| 464 |
+
_reflns.phase_calculation_details ?
|
| 465 |
+
_reflns.pdbx_Rrim_I_all ?
|
| 466 |
+
_reflns.pdbx_Rpim_I_all ?
|
| 467 |
+
_reflns.pdbx_d_opt ?
|
| 468 |
+
_reflns.pdbx_number_measured_all ?
|
| 469 |
+
_reflns.pdbx_diffrn_id 1
|
| 470 |
+
_reflns.pdbx_ordinal 1
|
| 471 |
+
_reflns.pdbx_CC_half ?
|
| 472 |
+
_reflns.pdbx_R_split ?
|
| 473 |
+
#
|
| 474 |
+
_reflns_shell.d_res_high 3.0
|
| 475 |
+
_reflns_shell.d_res_low 3.1
|
| 476 |
+
_reflns_shell.meanI_over_sigI_all ?
|
| 477 |
+
_reflns_shell.meanI_over_sigI_obs ?
|
| 478 |
+
_reflns_shell.number_measured_all ?
|
| 479 |
+
_reflns_shell.number_measured_obs ?
|
| 480 |
+
_reflns_shell.number_possible ?
|
| 481 |
+
_reflns_shell.number_unique_all ?
|
| 482 |
+
_reflns_shell.number_unique_obs ?
|
| 483 |
+
_reflns_shell.percent_possible_all 100.0
|
| 484 |
+
_reflns_shell.percent_possible_obs ?
|
| 485 |
+
_reflns_shell.Rmerge_F_all ?
|
| 486 |
+
_reflns_shell.Rmerge_F_obs ?
|
| 487 |
+
_reflns_shell.Rmerge_I_all ?
|
| 488 |
+
_reflns_shell.Rmerge_I_obs 0.337
|
| 489 |
+
_reflns_shell.meanI_over_sigI_gt ?
|
| 490 |
+
_reflns_shell.meanI_over_uI_all ?
|
| 491 |
+
_reflns_shell.meanI_over_uI_gt ?
|
| 492 |
+
_reflns_shell.number_measured_gt ?
|
| 493 |
+
_reflns_shell.number_unique_gt ?
|
| 494 |
+
_reflns_shell.percent_possible_gt ?
|
| 495 |
+
_reflns_shell.Rmerge_F_gt ?
|
| 496 |
+
_reflns_shell.Rmerge_I_gt ?
|
| 497 |
+
_reflns_shell.pdbx_redundancy 11.4
|
| 498 |
+
_reflns_shell.pdbx_Rsym_value ?
|
| 499 |
+
_reflns_shell.pdbx_chi_squared ?
|
| 500 |
+
_reflns_shell.pdbx_netI_over_sigmaI_all ?
|
| 501 |
+
_reflns_shell.pdbx_netI_over_sigmaI_obs ?
|
| 502 |
+
_reflns_shell.pdbx_Rrim_I_all ?
|
| 503 |
+
_reflns_shell.pdbx_Rpim_I_all ?
|
| 504 |
+
_reflns_shell.pdbx_rejects ?
|
| 505 |
+
_reflns_shell.pdbx_ordinal 1
|
| 506 |
+
_reflns_shell.pdbx_diffrn_id 1
|
| 507 |
+
_reflns_shell.pdbx_CC_half ?
|
| 508 |
+
_reflns_shell.pdbx_R_split ?
|
| 509 |
+
#
|
| 510 |
+
_refine.aniso_B[1][1] ?
|
| 511 |
+
_refine.aniso_B[1][2] ?
|
| 512 |
+
_refine.aniso_B[1][3] ?
|
| 513 |
+
_refine.aniso_B[2][2] ?
|
| 514 |
+
_refine.aniso_B[2][3] ?
|
| 515 |
+
_refine.aniso_B[3][3] ?
|
| 516 |
+
_refine.B_iso_max 154.060
|
| 517 |
+
_refine.B_iso_mean 90.5200
|
| 518 |
+
_refine.B_iso_min 60.700
|
| 519 |
+
_refine.correlation_coeff_Fo_to_Fc ?
|
| 520 |
+
_refine.correlation_coeff_Fo_to_Fc_free ?
|
| 521 |
+
_refine.details
|
| 522 |
+
'The entry contains friedel pairs in F_plus/minus columns and I_plus/minus columns'
|
| 523 |
+
_refine.diff_density_max ?
|
| 524 |
+
_refine.diff_density_max_esd ?
|
| 525 |
+
_refine.diff_density_min ?
|
| 526 |
+
_refine.diff_density_min_esd ?
|
| 527 |
+
_refine.diff_density_rms ?
|
| 528 |
+
_refine.diff_density_rms_esd ?
|
| 529 |
+
_refine.entry_id 5XWG
|
| 530 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 531 |
+
_refine.ls_abs_structure_details ?
|
| 532 |
+
_refine.ls_abs_structure_Flack ?
|
| 533 |
+
_refine.ls_abs_structure_Flack_esd ?
|
| 534 |
+
_refine.ls_abs_structure_Rogers ?
|
| 535 |
+
_refine.ls_abs_structure_Rogers_esd ?
|
| 536 |
+
_refine.ls_d_res_high 3.0020
|
| 537 |
+
_refine.ls_d_res_low 21.5260
|
| 538 |
+
_refine.ls_extinction_coef ?
|
| 539 |
+
_refine.ls_extinction_coef_esd ?
|
| 540 |
+
_refine.ls_extinction_expression ?
|
| 541 |
+
_refine.ls_extinction_method ?
|
| 542 |
+
_refine.ls_goodness_of_fit_all ?
|
| 543 |
+
_refine.ls_goodness_of_fit_all_esd ?
|
| 544 |
+
_refine.ls_goodness_of_fit_obs ?
|
| 545 |
+
_refine.ls_goodness_of_fit_obs_esd ?
|
| 546 |
+
_refine.ls_hydrogen_treatment ?
|
| 547 |
+
_refine.ls_matrix_type ?
|
| 548 |
+
_refine.ls_number_constraints ?
|
| 549 |
+
_refine.ls_number_parameters ?
|
| 550 |
+
_refine.ls_number_reflns_all ?
|
| 551 |
+
_refine.ls_number_reflns_obs 3364
|
| 552 |
+
_refine.ls_number_reflns_R_free 305
|
| 553 |
+
_refine.ls_number_reflns_R_work ?
|
| 554 |
+
_refine.ls_number_restraints ?
|
| 555 |
+
_refine.ls_percent_reflns_obs 99.5300
|
| 556 |
+
_refine.ls_percent_reflns_R_free 9.0700
|
| 557 |
+
_refine.ls_R_factor_all ?
|
| 558 |
+
_refine.ls_R_factor_obs 0.2177
|
| 559 |
+
_refine.ls_R_factor_R_free 0.2255
|
| 560 |
+
_refine.ls_R_factor_R_free_error ?
|
| 561 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 562 |
+
_refine.ls_R_factor_R_work 0.2170
|
| 563 |
+
_refine.ls_R_Fsqd_factor_obs ?
|
| 564 |
+
_refine.ls_R_I_factor_obs ?
|
| 565 |
+
_refine.ls_redundancy_reflns_all ?
|
| 566 |
+
_refine.ls_redundancy_reflns_obs ?
|
| 567 |
+
_refine.ls_restrained_S_all ?
|
| 568 |
+
_refine.ls_restrained_S_obs ?
|
| 569 |
+
_refine.ls_shift_over_esd_max ?
|
| 570 |
+
_refine.ls_shift_over_esd_mean ?
|
| 571 |
+
_refine.ls_structure_factor_coef ?
|
| 572 |
+
_refine.ls_weighting_details ?
|
| 573 |
+
_refine.ls_weighting_scheme ?
|
| 574 |
+
_refine.ls_wR_factor_all ?
|
| 575 |
+
_refine.ls_wR_factor_obs ?
|
| 576 |
+
_refine.ls_wR_factor_R_free ?
|
| 577 |
+
_refine.ls_wR_factor_R_work ?
|
| 578 |
+
_refine.occupancy_max ?
|
| 579 |
+
_refine.occupancy_min ?
|
| 580 |
+
_refine.solvent_model_details ?
|
| 581 |
+
_refine.solvent_model_param_bsol ?
|
| 582 |
+
_refine.solvent_model_param_ksol ?
|
| 583 |
+
_refine.ls_R_factor_gt ?
|
| 584 |
+
_refine.ls_goodness_of_fit_gt ?
|
| 585 |
+
_refine.ls_goodness_of_fit_ref ?
|
| 586 |
+
_refine.ls_shift_over_su_max ?
|
| 587 |
+
_refine.ls_shift_over_su_max_lt ?
|
| 588 |
+
_refine.ls_shift_over_su_mean ?
|
| 589 |
+
_refine.ls_shift_over_su_mean_lt ?
|
| 590 |
+
_refine.pdbx_ls_sigma_I ?
|
| 591 |
+
_refine.pdbx_ls_sigma_F 1.990
|
| 592 |
+
_refine.pdbx_ls_sigma_Fsqd ?
|
| 593 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 594 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 595 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 596 |
+
_refine.pdbx_isotropic_thermal_model ?
|
| 597 |
+
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
|
| 598 |
+
_refine.pdbx_method_to_determine_struct ?
|
| 599 |
+
_refine.pdbx_starting_model ?
|
| 600 |
+
_refine.pdbx_stereochemistry_target_values ?
|
| 601 |
+
_refine.pdbx_R_Free_selection_details ?
|
| 602 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 603 |
+
_refine.pdbx_overall_ESU_R ?
|
| 604 |
+
_refine.pdbx_overall_ESU_R_Free ?
|
| 605 |
+
_refine.pdbx_solvent_vdw_probe_radii 1.1100
|
| 606 |
+
_refine.pdbx_solvent_ion_probe_radii ?
|
| 607 |
+
_refine.pdbx_solvent_shrinkage_radii 0.9000
|
| 608 |
+
_refine.pdbx_real_space_R ?
|
| 609 |
+
_refine.pdbx_density_correlation ?
|
| 610 |
+
_refine.pdbx_pd_number_of_powder_patterns ?
|
| 611 |
+
_refine.pdbx_pd_number_of_points ?
|
| 612 |
+
_refine.pdbx_pd_meas_number_of_points ?
|
| 613 |
+
_refine.pdbx_pd_proc_ls_prof_R_factor ?
|
| 614 |
+
_refine.pdbx_pd_proc_ls_prof_wR_factor ?
|
| 615 |
+
_refine.pdbx_pd_Marquardt_correlation_coeff ?
|
| 616 |
+
_refine.pdbx_pd_Fsqrd_R_factor ?
|
| 617 |
+
_refine.pdbx_pd_ls_matrix_band_width ?
|
| 618 |
+
_refine.pdbx_overall_phase_error 27.8900
|
| 619 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 620 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 621 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 622 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 623 |
+
_refine.pdbx_diffrn_id 1
|
| 624 |
+
_refine.overall_SU_B ?
|
| 625 |
+
_refine.overall_SU_ML 0.3100
|
| 626 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 627 |
+
_refine.overall_SU_R_free ?
|
| 628 |
+
_refine.overall_FOM_free_R_set ?
|
| 629 |
+
_refine.overall_FOM_work_R_set ?
|
| 630 |
+
_refine.pdbx_average_fsc_overall ?
|
| 631 |
+
_refine.pdbx_average_fsc_work ?
|
| 632 |
+
_refine.pdbx_average_fsc_free ?
|
| 633 |
+
#
|
| 634 |
+
_refine_hist.cycle_id final
|
| 635 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 636 |
+
_refine_hist.d_res_high 3.0020
|
| 637 |
+
_refine_hist.d_res_low 21.5260
|
| 638 |
+
_refine_hist.pdbx_number_atoms_ligand 3
|
| 639 |
+
_refine_hist.number_atoms_solvent 0
|
| 640 |
+
_refine_hist.number_atoms_total 323
|
| 641 |
+
_refine_hist.pdbx_number_residues_total 15
|
| 642 |
+
_refine_hist.pdbx_B_iso_mean_ligand 133.35
|
| 643 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 644 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 320
|
| 645 |
+
#
|
| 646 |
+
loop_
|
| 647 |
+
_refine_ls_restr.pdbx_refine_id
|
| 648 |
+
_refine_ls_restr.criterion
|
| 649 |
+
_refine_ls_restr.dev_ideal
|
| 650 |
+
_refine_ls_restr.dev_ideal_target
|
| 651 |
+
_refine_ls_restr.number
|
| 652 |
+
_refine_ls_restr.rejects
|
| 653 |
+
_refine_ls_restr.type
|
| 654 |
+
_refine_ls_restr.weight
|
| 655 |
+
_refine_ls_restr.pdbx_restraint_function
|
| 656 |
+
'X-RAY DIFFRACTION' ? 0.014 ? 379 ? f_bond_d ? ?
|
| 657 |
+
'X-RAY DIFFRACTION' ? 1.439 ? 588 ? f_angle_d ? ?
|
| 658 |
+
'X-RAY DIFFRACTION' ? 0.163 ? 79 ? f_chiral_restr ? ?
|
| 659 |
+
'X-RAY DIFFRACTION' ? 0.025 ? 16 ? f_plane_restr ? ?
|
| 660 |
+
'X-RAY DIFFRACTION' ? 9.368 ? 183 ? f_dihedral_angle_d ? ?
|
| 661 |
+
#
|
| 662 |
+
loop_
|
| 663 |
+
_refine_ls_shell.pdbx_refine_id
|
| 664 |
+
_refine_ls_shell.d_res_high
|
| 665 |
+
_refine_ls_shell.d_res_low
|
| 666 |
+
_refine_ls_shell.number_reflns_all
|
| 667 |
+
_refine_ls_shell.number_reflns_obs
|
| 668 |
+
_refine_ls_shell.number_reflns_R_free
|
| 669 |
+
_refine_ls_shell.number_reflns_R_work
|
| 670 |
+
_refine_ls_shell.percent_reflns_obs
|
| 671 |
+
_refine_ls_shell.percent_reflns_R_free
|
| 672 |
+
_refine_ls_shell.R_factor_all
|
| 673 |
+
_refine_ls_shell.R_factor_obs
|
| 674 |
+
_refine_ls_shell.R_factor_R_free
|
| 675 |
+
_refine_ls_shell.R_factor_R_free_error
|
| 676 |
+
_refine_ls_shell.R_factor_R_work
|
| 677 |
+
_refine_ls_shell.redundancy_reflns_all
|
| 678 |
+
_refine_ls_shell.redundancy_reflns_obs
|
| 679 |
+
_refine_ls_shell.wR_factor_all
|
| 680 |
+
_refine_ls_shell.wR_factor_obs
|
| 681 |
+
_refine_ls_shell.wR_factor_R_free
|
| 682 |
+
_refine_ls_shell.wR_factor_R_work
|
| 683 |
+
_refine_ls_shell.pdbx_total_number_of_bins_used
|
| 684 |
+
_refine_ls_shell.pdbx_phase_error
|
| 685 |
+
_refine_ls_shell.pdbx_fsc_work
|
| 686 |
+
_refine_ls_shell.pdbx_fsc_free
|
| 687 |
+
'X-RAY DIFFRACTION' 3.0017 3.7785 1671 . 124 1547 100.0000 . . . 0.2132 0.0000 0.2259 . . . . . . 2 . . .
|
| 688 |
+
'X-RAY DIFFRACTION' 3.7785 21.5269 1693 . 181 1512 99.0000 . . . 0.2281 0.0000 0.2145 . . . . . . 2 . . .
|
| 689 |
+
#
|
| 690 |
+
_struct.entry_id 5XWG
|
| 691 |
+
_struct.title 'Crystal structure of a novel RNA motif that allows for precise positioning of a metal ion'
|
| 692 |
+
_struct.pdbx_model_details ?
|
| 693 |
+
_struct.pdbx_formula_weight ?
|
| 694 |
+
_struct.pdbx_formula_weight_method ?
|
| 695 |
+
_struct.pdbx_model_type_details ?
|
| 696 |
+
_struct.pdbx_CASP_flag N
|
| 697 |
+
#
|
| 698 |
+
_struct_keywords.entry_id 5XWG
|
| 699 |
+
_struct_keywords.text 'RNA, metal-ion-binding motif, X-ray analysis'
|
| 700 |
+
_struct_keywords.pdbx_keywords RNA
|
| 701 |
+
#
|
| 702 |
+
loop_
|
| 703 |
+
_struct_asym.id
|
| 704 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 705 |
+
_struct_asym.pdbx_modified
|
| 706 |
+
_struct_asym.entity_id
|
| 707 |
+
_struct_asym.details
|
| 708 |
+
A N N 1 ?
|
| 709 |
+
B N N 2 ?
|
| 710 |
+
C N N 2 ?
|
| 711 |
+
D N N 2 ?
|
| 712 |
+
#
|
| 713 |
+
_struct_ref.id 1
|
| 714 |
+
_struct_ref.db_name PDB
|
| 715 |
+
_struct_ref.db_code 5XWG
|
| 716 |
+
_struct_ref.pdbx_db_accession 5XWG
|
| 717 |
+
_struct_ref.pdbx_db_isoform ?
|
| 718 |
+
_struct_ref.entity_id 1
|
| 719 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 720 |
+
_struct_ref.pdbx_align_begin 1
|
| 721 |
+
#
|
| 722 |
+
_struct_ref_seq.align_id 1
|
| 723 |
+
_struct_ref_seq.ref_id 1
|
| 724 |
+
_struct_ref_seq.pdbx_PDB_id_code 5XWG
|
| 725 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 726 |
+
_struct_ref_seq.seq_align_beg 1
|
| 727 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 728 |
+
_struct_ref_seq.seq_align_end 15
|
| 729 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 730 |
+
_struct_ref_seq.pdbx_db_accession 5XWG
|
| 731 |
+
_struct_ref_seq.db_align_beg 5
|
| 732 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 733 |
+
_struct_ref_seq.db_align_end 19
|
| 734 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 735 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 5
|
| 736 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 19
|
| 737 |
+
#
|
| 738 |
+
_pdbx_struct_assembly.id 1
|
| 739 |
+
_pdbx_struct_assembly.details author_and_software_defined_assembly
|
| 740 |
+
_pdbx_struct_assembly.method_details PISA
|
| 741 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 742 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 743 |
+
#
|
| 744 |
+
loop_
|
| 745 |
+
_pdbx_struct_assembly_prop.biol_id
|
| 746 |
+
_pdbx_struct_assembly_prop.type
|
| 747 |
+
_pdbx_struct_assembly_prop.value
|
| 748 |
+
_pdbx_struct_assembly_prop.details
|
| 749 |
+
1 'ABSA (A^2)' 3710 ?
|
| 750 |
+
1 MORE -136 ?
|
| 751 |
+
1 'SSA (A^2)' 5440 ?
|
| 752 |
+
#
|
| 753 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 754 |
+
_pdbx_struct_assembly_gen.oper_expression 1,2
|
| 755 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D
|
| 756 |
+
#
|
| 757 |
+
_pdbx_struct_assembly_auth_evidence.id 1
|
| 758 |
+
_pdbx_struct_assembly_auth_evidence.assembly_id 1
|
| 759 |
+
_pdbx_struct_assembly_auth_evidence.experimental_support none
|
| 760 |
+
_pdbx_struct_assembly_auth_evidence.details ?
|
| 761 |
+
#
|
| 762 |
+
loop_
|
| 763 |
+
_pdbx_struct_oper_list.id
|
| 764 |
+
_pdbx_struct_oper_list.type
|
| 765 |
+
_pdbx_struct_oper_list.name
|
| 766 |
+
_pdbx_struct_oper_list.symmetry_operation
|
| 767 |
+
_pdbx_struct_oper_list.matrix[1][1]
|
| 768 |
+
_pdbx_struct_oper_list.matrix[1][2]
|
| 769 |
+
_pdbx_struct_oper_list.matrix[1][3]
|
| 770 |
+
_pdbx_struct_oper_list.vector[1]
|
| 771 |
+
_pdbx_struct_oper_list.matrix[2][1]
|
| 772 |
+
_pdbx_struct_oper_list.matrix[2][2]
|
| 773 |
+
_pdbx_struct_oper_list.matrix[2][3]
|
| 774 |
+
_pdbx_struct_oper_list.vector[2]
|
| 775 |
+
_pdbx_struct_oper_list.matrix[3][1]
|
| 776 |
+
_pdbx_struct_oper_list.matrix[3][2]
|
| 777 |
+
_pdbx_struct_oper_list.matrix[3][3]
|
| 778 |
+
_pdbx_struct_oper_list.vector[3]
|
| 779 |
+
1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
|
| 780 |
+
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
|
| 781 |
+
2 'crystal symmetry operation' 14_445 -x-1,-y-1/2,z -1.0000000000 0.0000000000 0.0000000000 -80.5440000000 0.0000000000
|
| 782 |
+
-1.0000000000 0.0000000000 -40.2720000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
|
| 783 |
+
#
|
| 784 |
+
loop_
|
| 785 |
+
_struct_conn.id
|
| 786 |
+
_struct_conn.conn_type_id
|
| 787 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 788 |
+
_struct_conn.pdbx_PDB_id
|
| 789 |
+
_struct_conn.ptnr1_label_asym_id
|
| 790 |
+
_struct_conn.ptnr1_label_comp_id
|
| 791 |
+
_struct_conn.ptnr1_label_seq_id
|
| 792 |
+
_struct_conn.ptnr1_label_atom_id
|
| 793 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 794 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 795 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 796 |
+
_struct_conn.ptnr1_symmetry
|
| 797 |
+
_struct_conn.ptnr2_label_asym_id
|
| 798 |
+
_struct_conn.ptnr2_label_comp_id
|
| 799 |
+
_struct_conn.ptnr2_label_seq_id
|
| 800 |
+
_struct_conn.ptnr2_label_atom_id
|
| 801 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 802 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 803 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 804 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 805 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 806 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 807 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 808 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 809 |
+
_struct_conn.ptnr2_symmetry
|
| 810 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 811 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 812 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 813 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 814 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 815 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 816 |
+
_struct_conn.details
|
| 817 |
+
_struct_conn.pdbx_dist_value
|
| 818 |
+
_struct_conn.pdbx_value_order
|
| 819 |
+
_struct_conn.pdbx_role
|
| 820 |
+
covale1 covale both ? A U 4 "O3'" ? ? ? 1_555 A 5BU 5 P ? ? A U 8 A 5BU 9 1_555 ? ? ? ? ? ? ? 1.614 ? ?
|
| 821 |
+
covale2 covale both ? A 5BU 5 "O3'" ? ? ? 1_555 A C 6 P ? ? A 5BU 9 A C 10 1_555 ? ? ? ? ? ? ? 1.605 ? ?
|
| 822 |
+
metalc1 metalc ? ? A C 15 "O3'" ? ? ? 1_555 B SR . SR ? ? A C 19 A SR 101 1_555 ? ? ? ? ? ? ? 2.952 ? ?
|
| 823 |
+
metalc2 metalc ? ? A C 15 "O2'" ? ? ? 1_555 B SR . SR ? ? A C 19 A SR 101 1_555 ? ? ? ? ? ? ? 2.541 ? ?
|
| 824 |
+
hydrog1 hydrog ? ? A G 2 N1 ? ? ? 1_555 A U 14 O2 ? ? A G 6 A U 18 14_445 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 825 |
+
hydrog2 hydrog ? ? A G 2 O6 ? ? ? 1_555 A U 14 N3 ? ? A G 6 A U 18 14_445 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 826 |
+
hydrog3 hydrog ? ? A C 3 N3 ? ? ? 1_555 A G 13 N1 ? ? A C 7 A G 17 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 827 |
+
hydrog4 hydrog ? ? A C 3 N4 ? ? ? 1_555 A G 13 O6 ? ? A C 7 A G 17 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 828 |
+
hydrog5 hydrog ? ? A C 3 O2 ? ? ? 1_555 A G 13 N2 ? ? A C 7 A G 17 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 829 |
+
hydrog6 hydrog ? ? A U 4 N3 ? ? ? 1_555 A A 12 N1 ? ? A U 8 A A 16 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 830 |
+
hydrog7 hydrog ? ? A U 4 O4 ? ? ? 1_555 A A 12 N6 ? ? A U 8 A A 16 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 831 |
+
hydrog8 hydrog ? ? A 5BU 5 N3 ? ? ? 1_555 A A 11 N1 ? ? A 5BU 9 A A 15 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 832 |
+
hydrog9 hydrog ? ? A 5BU 5 O4 ? ? ? 1_555 A A 11 N6 ? ? A 5BU 9 A A 15 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 833 |
+
hydrog10 hydrog ? ? A C 6 N3 ? ? ? 1_555 A A 10 N6 ? ? A C 10 A A 14 14_445 ? ? ? ? ? ? 'C-A MISPAIR' ? ? ?
|
| 834 |
+
hydrog11 hydrog ? ? A G 7 N2 ? ? ? 1_555 A A 9 N7 ? ? A G 11 A A 13 14_445 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 835 |
+
hydrog12 hydrog ? ? A G 7 N3 ? ? ? 1_555 A A 9 N6 ? ? A G 11 A A 13 14_445 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 836 |
+
hydrog13 hydrog ? ? A A 8 N7 ? ? ? 1_555 A G 7 N2 ? ? A A 12 A G 11 14_445 ? ? ? ? ? ? 'A-G MISPAIR' ? ? ?
|
| 837 |
+
hydrog14 hydrog ? ? A A 9 N6 ? ? ? 1_555 A G 7 N3 ? ? A A 13 A G 11 14_445 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 838 |
+
hydrog15 hydrog ? ? A A 9 N7 ? ? ? 1_555 A G 7 N2 ? ? A A 13 A G 11 14_445 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 839 |
+
hydrog16 hydrog ? ? A A 10 N6 ? ? ? 1_555 A C 6 N3 ? ? A A 14 A C 10 14_445 ? ? ? ? ? ? 'A-C MISPAIR' ? ? ?
|
| 840 |
+
hydrog17 hydrog ? ? A A 11 N1 ? ? ? 1_555 A 5BU 5 N3 ? ? A A 15 A 5BU 9 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 841 |
+
hydrog18 hydrog ? ? A A 11 N6 ? ? ? 1_555 A 5BU 5 O4 ? ? A A 15 A 5BU 9 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 842 |
+
hydrog19 hydrog ? ? A A 12 N1 ? ? ? 1_555 A U 4 N3 ? ? A A 16 A U 8 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 843 |
+
hydrog20 hydrog ? ? A A 12 N6 ? ? ? 1_555 A U 4 O4 ? ? A A 16 A U 8 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 844 |
+
hydrog21 hydrog ? ? A G 13 N1 ? ? ? 1_555 A C 3 N3 ? ? A G 17 A C 7 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 845 |
+
hydrog22 hydrog ? ? A G 13 N2 ? ? ? 1_555 A C 3 O2 ? ? A G 17 A C 7 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 846 |
+
hydrog23 hydrog ? ? A G 13 O6 ? ? ? 1_555 A C 3 N4 ? ? A G 17 A C 7 14_445 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 847 |
+
hydrog24 hydrog ? ? A U 14 N3 ? ? ? 1_555 A G 2 O6 ? ? A U 18 A G 6 14_445 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 848 |
+
hydrog25 hydrog ? ? A U 14 O2 ? ? ? 1_555 A G 2 N1 ? ? A U 18 A G 6 14_445 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 849 |
+
#
|
| 850 |
+
loop_
|
| 851 |
+
_struct_conn_type.id
|
| 852 |
+
_struct_conn_type.criteria
|
| 853 |
+
_struct_conn_type.reference
|
| 854 |
+
covale ? ?
|
| 855 |
+
metalc ? ?
|
| 856 |
+
hydrog ? ?
|
| 857 |
+
#
|
| 858 |
+
_pdbx_struct_conn_angle.id 1
|
| 859 |
+
_pdbx_struct_conn_angle.ptnr1_label_atom_id "O3'"
|
| 860 |
+
_pdbx_struct_conn_angle.ptnr1_label_alt_id ?
|
| 861 |
+
_pdbx_struct_conn_angle.ptnr1_label_asym_id A
|
| 862 |
+
_pdbx_struct_conn_angle.ptnr1_label_comp_id C
|
| 863 |
+
_pdbx_struct_conn_angle.ptnr1_label_seq_id 15
|
| 864 |
+
_pdbx_struct_conn_angle.ptnr1_auth_atom_id ?
|
| 865 |
+
_pdbx_struct_conn_angle.ptnr1_auth_asym_id A
|
| 866 |
+
_pdbx_struct_conn_angle.ptnr1_auth_comp_id C
|
| 867 |
+
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 19
|
| 868 |
+
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code ?
|
| 869 |
+
_pdbx_struct_conn_angle.ptnr1_symmetry 1_555
|
| 870 |
+
_pdbx_struct_conn_angle.ptnr2_label_atom_id SR
|
| 871 |
+
_pdbx_struct_conn_angle.ptnr2_label_alt_id ?
|
| 872 |
+
_pdbx_struct_conn_angle.ptnr2_label_asym_id B
|
| 873 |
+
_pdbx_struct_conn_angle.ptnr2_label_comp_id SR
|
| 874 |
+
_pdbx_struct_conn_angle.ptnr2_label_seq_id .
|
| 875 |
+
_pdbx_struct_conn_angle.ptnr2_auth_atom_id ?
|
| 876 |
+
_pdbx_struct_conn_angle.ptnr2_auth_asym_id A
|
| 877 |
+
_pdbx_struct_conn_angle.ptnr2_auth_comp_id SR
|
| 878 |
+
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 101
|
| 879 |
+
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code ?
|
| 880 |
+
_pdbx_struct_conn_angle.ptnr2_symmetry 1_555
|
| 881 |
+
_pdbx_struct_conn_angle.ptnr3_label_atom_id "O2'"
|
| 882 |
+
_pdbx_struct_conn_angle.ptnr3_label_alt_id ?
|
| 883 |
+
_pdbx_struct_conn_angle.ptnr3_label_asym_id A
|
| 884 |
+
_pdbx_struct_conn_angle.ptnr3_label_comp_id C
|
| 885 |
+
_pdbx_struct_conn_angle.ptnr3_label_seq_id 15
|
| 886 |
+
_pdbx_struct_conn_angle.ptnr3_auth_atom_id ?
|
| 887 |
+
_pdbx_struct_conn_angle.ptnr3_auth_asym_id A
|
| 888 |
+
_pdbx_struct_conn_angle.ptnr3_auth_comp_id C
|
| 889 |
+
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 19
|
| 890 |
+
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code ?
|
| 891 |
+
_pdbx_struct_conn_angle.ptnr3_symmetry 1_555
|
| 892 |
+
_pdbx_struct_conn_angle.value 63.4
|
| 893 |
+
_pdbx_struct_conn_angle.value_esd ?
|
| 894 |
+
#
|
| 895 |
+
_struct_site.id AC1
|
| 896 |
+
_struct_site.pdbx_evidence_code Software
|
| 897 |
+
_struct_site.pdbx_auth_asym_id A
|
| 898 |
+
_struct_site.pdbx_auth_comp_id SR
|
| 899 |
+
_struct_site.pdbx_auth_seq_id 101
|
| 900 |
+
_struct_site.pdbx_auth_ins_code ?
|
| 901 |
+
_struct_site.pdbx_num_residues 1
|
| 902 |
+
_struct_site.details 'binding site for residue SR A 101'
|
| 903 |
+
#
|
| 904 |
+
_struct_site_gen.id 1
|
| 905 |
+
_struct_site_gen.site_id AC1
|
| 906 |
+
_struct_site_gen.pdbx_num_res 1
|
| 907 |
+
_struct_site_gen.label_comp_id C
|
| 908 |
+
_struct_site_gen.label_asym_id A
|
| 909 |
+
_struct_site_gen.label_seq_id 15
|
| 910 |
+
_struct_site_gen.pdbx_auth_ins_code ?
|
| 911 |
+
_struct_site_gen.auth_comp_id C
|
| 912 |
+
_struct_site_gen.auth_asym_id A
|
| 913 |
+
_struct_site_gen.auth_seq_id 19
|
| 914 |
+
_struct_site_gen.label_atom_id .
|
| 915 |
+
_struct_site_gen.label_alt_id ?
|
| 916 |
+
_struct_site_gen.symmetry 1_555
|
| 917 |
+
_struct_site_gen.details ?
|
| 918 |
+
#
|
| 919 |
+
loop_
|
| 920 |
+
_pdbx_struct_special_symmetry.id
|
| 921 |
+
_pdbx_struct_special_symmetry.PDB_model_num
|
| 922 |
+
_pdbx_struct_special_symmetry.auth_asym_id
|
| 923 |
+
_pdbx_struct_special_symmetry.auth_comp_id
|
| 924 |
+
_pdbx_struct_special_symmetry.auth_seq_id
|
| 925 |
+
_pdbx_struct_special_symmetry.PDB_ins_code
|
| 926 |
+
_pdbx_struct_special_symmetry.label_asym_id
|
| 927 |
+
_pdbx_struct_special_symmetry.label_comp_id
|
| 928 |
+
_pdbx_struct_special_symmetry.label_seq_id
|
| 929 |
+
1 1 A C 5 ? A C 1
|
| 930 |
+
2 1 A SR 102 ? C SR .
|
| 931 |
+
#
|
| 932 |
+
loop_
|
| 933 |
+
_chem_comp_atom.comp_id
|
| 934 |
+
_chem_comp_atom.atom_id
|
| 935 |
+
_chem_comp_atom.type_symbol
|
| 936 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 937 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 938 |
+
_chem_comp_atom.pdbx_ordinal
|
| 939 |
+
5BU P P N N 1
|
| 940 |
+
5BU OP1 O N N 2
|
| 941 |
+
5BU OP2 O N N 3
|
| 942 |
+
5BU OP3 O N N 4
|
| 943 |
+
5BU "O5'" O N N 5
|
| 944 |
+
5BU "C5'" C N N 6
|
| 945 |
+
5BU "C4'" C N R 7
|
| 946 |
+
5BU "O4'" O N N 8
|
| 947 |
+
5BU "C3'" C N S 9
|
| 948 |
+
5BU "O3'" O N N 10
|
| 949 |
+
5BU "C2'" C N R 11
|
| 950 |
+
5BU "O2'" O N N 12
|
| 951 |
+
5BU "C1'" C N R 13
|
| 952 |
+
5BU N1 N N N 14
|
| 953 |
+
5BU C2 C N N 15
|
| 954 |
+
5BU O2 O N N 16
|
| 955 |
+
5BU N3 N N N 17
|
| 956 |
+
5BU C4 C N N 18
|
| 957 |
+
5BU O4 O N N 19
|
| 958 |
+
5BU C5 C N N 20
|
| 959 |
+
5BU C6 C N N 21
|
| 960 |
+
5BU BR BR N N 22
|
| 961 |
+
5BU HOP2 H N N 23
|
| 962 |
+
5BU HOP3 H N N 24
|
| 963 |
+
5BU "H5'" H N N 25
|
| 964 |
+
5BU "H5''" H N N 26
|
| 965 |
+
5BU "H4'" H N N 27
|
| 966 |
+
5BU "H3'" H N N 28
|
| 967 |
+
5BU "HO3'" H N N 29
|
| 968 |
+
5BU "H2'" H N N 30
|
| 969 |
+
5BU "HO2'" H N N 31
|
| 970 |
+
5BU "H1'" H N N 32
|
| 971 |
+
5BU H3 H N N 33
|
| 972 |
+
5BU H6 H N N 34
|
| 973 |
+
A OP3 O N N 35
|
| 974 |
+
A P P N N 36
|
| 975 |
+
A OP1 O N N 37
|
| 976 |
+
A OP2 O N N 38
|
| 977 |
+
A "O5'" O N N 39
|
| 978 |
+
A "C5'" C N N 40
|
| 979 |
+
A "C4'" C N R 41
|
| 980 |
+
A "O4'" O N N 42
|
| 981 |
+
A "C3'" C N S 43
|
| 982 |
+
A "O3'" O N N 44
|
| 983 |
+
A "C2'" C N R 45
|
| 984 |
+
A "O2'" O N N 46
|
| 985 |
+
A "C1'" C N R 47
|
| 986 |
+
A N9 N Y N 48
|
| 987 |
+
A C8 C Y N 49
|
| 988 |
+
A N7 N Y N 50
|
| 989 |
+
A C5 C Y N 51
|
| 990 |
+
A C6 C Y N 52
|
| 991 |
+
A N6 N N N 53
|
| 992 |
+
A N1 N Y N 54
|
| 993 |
+
A C2 C Y N 55
|
| 994 |
+
A N3 N Y N 56
|
| 995 |
+
A C4 C Y N 57
|
| 996 |
+
A HOP3 H N N 58
|
| 997 |
+
A HOP2 H N N 59
|
| 998 |
+
A "H5'" H N N 60
|
| 999 |
+
A "H5''" H N N 61
|
| 1000 |
+
A "H4'" H N N 62
|
| 1001 |
+
A "H3'" H N N 63
|
| 1002 |
+
A "HO3'" H N N 64
|
| 1003 |
+
A "H2'" H N N 65
|
| 1004 |
+
A "HO2'" H N N 66
|
| 1005 |
+
A "H1'" H N N 67
|
| 1006 |
+
A H8 H N N 68
|
| 1007 |
+
A H61 H N N 69
|
| 1008 |
+
A H62 H N N 70
|
| 1009 |
+
A H2 H N N 71
|
| 1010 |
+
C OP3 O N N 72
|
| 1011 |
+
C P P N N 73
|
| 1012 |
+
C OP1 O N N 74
|
| 1013 |
+
C OP2 O N N 75
|
| 1014 |
+
C "O5'" O N N 76
|
| 1015 |
+
C "C5'" C N N 77
|
| 1016 |
+
C "C4'" C N R 78
|
| 1017 |
+
C "O4'" O N N 79
|
| 1018 |
+
C "C3'" C N S 80
|
| 1019 |
+
C "O3'" O N N 81
|
| 1020 |
+
C "C2'" C N R 82
|
| 1021 |
+
C "O2'" O N N 83
|
| 1022 |
+
C "C1'" C N R 84
|
| 1023 |
+
C N1 N N N 85
|
| 1024 |
+
C C2 C N N 86
|
| 1025 |
+
C O2 O N N 87
|
| 1026 |
+
C N3 N N N 88
|
| 1027 |
+
C C4 C N N 89
|
| 1028 |
+
C N4 N N N 90
|
| 1029 |
+
C C5 C N N 91
|
| 1030 |
+
C C6 C N N 92
|
| 1031 |
+
C HOP3 H N N 93
|
| 1032 |
+
C HOP2 H N N 94
|
| 1033 |
+
C "H5'" H N N 95
|
| 1034 |
+
C "H5''" H N N 96
|
| 1035 |
+
C "H4'" H N N 97
|
| 1036 |
+
C "H3'" H N N 98
|
| 1037 |
+
C "HO3'" H N N 99
|
| 1038 |
+
C "H2'" H N N 100
|
| 1039 |
+
C "HO2'" H N N 101
|
| 1040 |
+
C "H1'" H N N 102
|
| 1041 |
+
C H41 H N N 103
|
| 1042 |
+
C H42 H N N 104
|
| 1043 |
+
C H5 H N N 105
|
| 1044 |
+
C H6 H N N 106
|
| 1045 |
+
G OP3 O N N 107
|
| 1046 |
+
G P P N N 108
|
| 1047 |
+
G OP1 O N N 109
|
| 1048 |
+
G OP2 O N N 110
|
| 1049 |
+
G "O5'" O N N 111
|
| 1050 |
+
G "C5'" C N N 112
|
| 1051 |
+
G "C4'" C N R 113
|
| 1052 |
+
G "O4'" O N N 114
|
| 1053 |
+
G "C3'" C N S 115
|
| 1054 |
+
G "O3'" O N N 116
|
| 1055 |
+
G "C2'" C N R 117
|
| 1056 |
+
G "O2'" O N N 118
|
| 1057 |
+
G "C1'" C N R 119
|
| 1058 |
+
G N9 N Y N 120
|
| 1059 |
+
G C8 C Y N 121
|
| 1060 |
+
G N7 N Y N 122
|
| 1061 |
+
G C5 C Y N 123
|
| 1062 |
+
G C6 C N N 124
|
| 1063 |
+
G O6 O N N 125
|
| 1064 |
+
G N1 N N N 126
|
| 1065 |
+
G C2 C N N 127
|
| 1066 |
+
G N2 N N N 128
|
| 1067 |
+
G N3 N N N 129
|
| 1068 |
+
G C4 C Y N 130
|
| 1069 |
+
G HOP3 H N N 131
|
| 1070 |
+
G HOP2 H N N 132
|
| 1071 |
+
G "H5'" H N N 133
|
| 1072 |
+
G "H5''" H N N 134
|
| 1073 |
+
G "H4'" H N N 135
|
| 1074 |
+
G "H3'" H N N 136
|
| 1075 |
+
G "HO3'" H N N 137
|
| 1076 |
+
G "H2'" H N N 138
|
| 1077 |
+
G "HO2'" H N N 139
|
| 1078 |
+
G "H1'" H N N 140
|
| 1079 |
+
G H8 H N N 141
|
| 1080 |
+
G H1 H N N 142
|
| 1081 |
+
G H21 H N N 143
|
| 1082 |
+
G H22 H N N 144
|
| 1083 |
+
SR SR SR N N 145
|
| 1084 |
+
U OP3 O N N 146
|
| 1085 |
+
U P P N N 147
|
| 1086 |
+
U OP1 O N N 148
|
| 1087 |
+
U OP2 O N N 149
|
| 1088 |
+
U "O5'" O N N 150
|
| 1089 |
+
U "C5'" C N N 151
|
| 1090 |
+
U "C4'" C N R 152
|
| 1091 |
+
U "O4'" O N N 153
|
| 1092 |
+
U "C3'" C N S 154
|
| 1093 |
+
U "O3'" O N N 155
|
| 1094 |
+
U "C2'" C N R 156
|
| 1095 |
+
U "O2'" O N N 157
|
| 1096 |
+
U "C1'" C N R 158
|
| 1097 |
+
U N1 N N N 159
|
| 1098 |
+
U C2 C N N 160
|
| 1099 |
+
U O2 O N N 161
|
| 1100 |
+
U N3 N N N 162
|
| 1101 |
+
U C4 C N N 163
|
| 1102 |
+
U O4 O N N 164
|
| 1103 |
+
U C5 C N N 165
|
| 1104 |
+
U C6 C N N 166
|
| 1105 |
+
U HOP3 H N N 167
|
| 1106 |
+
U HOP2 H N N 168
|
| 1107 |
+
U "H5'" H N N 169
|
| 1108 |
+
U "H5''" H N N 170
|
| 1109 |
+
U "H4'" H N N 171
|
| 1110 |
+
U "H3'" H N N 172
|
| 1111 |
+
U "HO3'" H N N 173
|
| 1112 |
+
U "H2'" H N N 174
|
| 1113 |
+
U "HO2'" H N N 175
|
| 1114 |
+
U "H1'" H N N 176
|
| 1115 |
+
U H3 H N N 177
|
| 1116 |
+
U H5 H N N 178
|
| 1117 |
+
U H6 H N N 179
|
| 1118 |
+
#
|
| 1119 |
+
loop_
|
| 1120 |
+
_chem_comp_bond.comp_id
|
| 1121 |
+
_chem_comp_bond.atom_id_1
|
| 1122 |
+
_chem_comp_bond.atom_id_2
|
| 1123 |
+
_chem_comp_bond.value_order
|
| 1124 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 1125 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 1126 |
+
_chem_comp_bond.pdbx_ordinal
|
| 1127 |
+
5BU P OP1 doub N N 1
|
| 1128 |
+
5BU P OP2 sing N N 2
|
| 1129 |
+
5BU P OP3 sing N N 3
|
| 1130 |
+
5BU P "O5'" sing N N 4
|
| 1131 |
+
5BU OP2 HOP2 sing N N 5
|
| 1132 |
+
5BU OP3 HOP3 sing N N 6
|
| 1133 |
+
5BU "O5'" "C5'" sing N N 7
|
| 1134 |
+
5BU "C5'" "C4'" sing N N 8
|
| 1135 |
+
5BU "C5'" "H5'" sing N N 9
|
| 1136 |
+
5BU "C5'" "H5''" sing N N 10
|
| 1137 |
+
5BU "C4'" "O4'" sing N N 11
|
| 1138 |
+
5BU "C4'" "C3'" sing N N 12
|
| 1139 |
+
5BU "C4'" "H4'" sing N N 13
|
| 1140 |
+
5BU "O4'" "C1'" sing N N 14
|
| 1141 |
+
5BU "C3'" "O3'" sing N N 15
|
| 1142 |
+
5BU "C3'" "C2'" sing N N 16
|
| 1143 |
+
5BU "C3'" "H3'" sing N N 17
|
| 1144 |
+
5BU "O3'" "HO3'" sing N N 18
|
| 1145 |
+
5BU "C2'" "O2'" sing N N 19
|
| 1146 |
+
5BU "C2'" "C1'" sing N N 20
|
| 1147 |
+
5BU "C2'" "H2'" sing N N 21
|
| 1148 |
+
5BU "O2'" "HO2'" sing N N 22
|
| 1149 |
+
5BU "C1'" N1 sing N N 23
|
| 1150 |
+
5BU "C1'" "H1'" sing N N 24
|
| 1151 |
+
5BU N1 C2 sing N N 25
|
| 1152 |
+
5BU N1 C6 sing N N 26
|
| 1153 |
+
5BU C2 O2 doub N N 27
|
| 1154 |
+
5BU C2 N3 sing N N 28
|
| 1155 |
+
5BU N3 C4 sing N N 29
|
| 1156 |
+
5BU N3 H3 sing N N 30
|
| 1157 |
+
5BU C4 O4 doub N N 31
|
| 1158 |
+
5BU C4 C5 sing N N 32
|
| 1159 |
+
5BU C5 C6 doub N N 33
|
| 1160 |
+
5BU C5 BR sing N N 34
|
| 1161 |
+
5BU C6 H6 sing N N 35
|
| 1162 |
+
A OP3 P sing N N 36
|
| 1163 |
+
A OP3 HOP3 sing N N 37
|
| 1164 |
+
A P OP1 doub N N 38
|
| 1165 |
+
A P OP2 sing N N 39
|
| 1166 |
+
A P "O5'" sing N N 40
|
| 1167 |
+
A OP2 HOP2 sing N N 41
|
| 1168 |
+
A "O5'" "C5'" sing N N 42
|
| 1169 |
+
A "C5'" "C4'" sing N N 43
|
| 1170 |
+
A "C5'" "H5'" sing N N 44
|
| 1171 |
+
A "C5'" "H5''" sing N N 45
|
| 1172 |
+
A "C4'" "O4'" sing N N 46
|
| 1173 |
+
A "C4'" "C3'" sing N N 47
|
| 1174 |
+
A "C4'" "H4'" sing N N 48
|
| 1175 |
+
A "O4'" "C1'" sing N N 49
|
| 1176 |
+
A "C3'" "O3'" sing N N 50
|
| 1177 |
+
A "C3'" "C2'" sing N N 51
|
| 1178 |
+
A "C3'" "H3'" sing N N 52
|
| 1179 |
+
A "O3'" "HO3'" sing N N 53
|
| 1180 |
+
A "C2'" "O2'" sing N N 54
|
| 1181 |
+
A "C2'" "C1'" sing N N 55
|
| 1182 |
+
A "C2'" "H2'" sing N N 56
|
| 1183 |
+
A "O2'" "HO2'" sing N N 57
|
| 1184 |
+
A "C1'" N9 sing N N 58
|
| 1185 |
+
A "C1'" "H1'" sing N N 59
|
| 1186 |
+
A N9 C8 sing Y N 60
|
| 1187 |
+
A N9 C4 sing Y N 61
|
| 1188 |
+
A C8 N7 doub Y N 62
|
| 1189 |
+
A C8 H8 sing N N 63
|
| 1190 |
+
A N7 C5 sing Y N 64
|
| 1191 |
+
A C5 C6 sing Y N 65
|
| 1192 |
+
A C5 C4 doub Y N 66
|
| 1193 |
+
A C6 N6 sing N N 67
|
| 1194 |
+
A C6 N1 doub Y N 68
|
| 1195 |
+
A N6 H61 sing N N 69
|
| 1196 |
+
A N6 H62 sing N N 70
|
| 1197 |
+
A N1 C2 sing Y N 71
|
| 1198 |
+
A C2 N3 doub Y N 72
|
| 1199 |
+
A C2 H2 sing N N 73
|
| 1200 |
+
A N3 C4 sing Y N 74
|
| 1201 |
+
C OP3 P sing N N 75
|
| 1202 |
+
C OP3 HOP3 sing N N 76
|
| 1203 |
+
C P OP1 doub N N 77
|
| 1204 |
+
C P OP2 sing N N 78
|
| 1205 |
+
C P "O5'" sing N N 79
|
| 1206 |
+
C OP2 HOP2 sing N N 80
|
| 1207 |
+
C "O5'" "C5'" sing N N 81
|
| 1208 |
+
C "C5'" "C4'" sing N N 82
|
| 1209 |
+
C "C5'" "H5'" sing N N 83
|
| 1210 |
+
C "C5'" "H5''" sing N N 84
|
| 1211 |
+
C "C4'" "O4'" sing N N 85
|
| 1212 |
+
C "C4'" "C3'" sing N N 86
|
| 1213 |
+
C "C4'" "H4'" sing N N 87
|
| 1214 |
+
C "O4'" "C1'" sing N N 88
|
| 1215 |
+
C "C3'" "O3'" sing N N 89
|
| 1216 |
+
C "C3'" "C2'" sing N N 90
|
| 1217 |
+
C "C3'" "H3'" sing N N 91
|
| 1218 |
+
C "O3'" "HO3'" sing N N 92
|
| 1219 |
+
C "C2'" "O2'" sing N N 93
|
| 1220 |
+
C "C2'" "C1'" sing N N 94
|
| 1221 |
+
C "C2'" "H2'" sing N N 95
|
| 1222 |
+
C "O2'" "HO2'" sing N N 96
|
| 1223 |
+
C "C1'" N1 sing N N 97
|
| 1224 |
+
C "C1'" "H1'" sing N N 98
|
| 1225 |
+
C N1 C2 sing N N 99
|
| 1226 |
+
C N1 C6 sing N N 100
|
| 1227 |
+
C C2 O2 doub N N 101
|
| 1228 |
+
C C2 N3 sing N N 102
|
| 1229 |
+
C N3 C4 doub N N 103
|
| 1230 |
+
C C4 N4 sing N N 104
|
| 1231 |
+
C C4 C5 sing N N 105
|
| 1232 |
+
C N4 H41 sing N N 106
|
| 1233 |
+
C N4 H42 sing N N 107
|
| 1234 |
+
C C5 C6 doub N N 108
|
| 1235 |
+
C C5 H5 sing N N 109
|
| 1236 |
+
C C6 H6 sing N N 110
|
| 1237 |
+
G OP3 P sing N N 111
|
| 1238 |
+
G OP3 HOP3 sing N N 112
|
| 1239 |
+
G P OP1 doub N N 113
|
| 1240 |
+
G P OP2 sing N N 114
|
| 1241 |
+
G P "O5'" sing N N 115
|
| 1242 |
+
G OP2 HOP2 sing N N 116
|
| 1243 |
+
G "O5'" "C5'" sing N N 117
|
| 1244 |
+
G "C5'" "C4'" sing N N 118
|
| 1245 |
+
G "C5'" "H5'" sing N N 119
|
| 1246 |
+
G "C5'" "H5''" sing N N 120
|
| 1247 |
+
G "C4'" "O4'" sing N N 121
|
| 1248 |
+
G "C4'" "C3'" sing N N 122
|
| 1249 |
+
G "C4'" "H4'" sing N N 123
|
| 1250 |
+
G "O4'" "C1'" sing N N 124
|
| 1251 |
+
G "C3'" "O3'" sing N N 125
|
| 1252 |
+
G "C3'" "C2'" sing N N 126
|
| 1253 |
+
G "C3'" "H3'" sing N N 127
|
| 1254 |
+
G "O3'" "HO3'" sing N N 128
|
| 1255 |
+
G "C2'" "O2'" sing N N 129
|
| 1256 |
+
G "C2'" "C1'" sing N N 130
|
| 1257 |
+
G "C2'" "H2'" sing N N 131
|
| 1258 |
+
G "O2'" "HO2'" sing N N 132
|
| 1259 |
+
G "C1'" N9 sing N N 133
|
| 1260 |
+
G "C1'" "H1'" sing N N 134
|
| 1261 |
+
G N9 C8 sing Y N 135
|
| 1262 |
+
G N9 C4 sing Y N 136
|
| 1263 |
+
G C8 N7 doub Y N 137
|
| 1264 |
+
G C8 H8 sing N N 138
|
| 1265 |
+
G N7 C5 sing Y N 139
|
| 1266 |
+
G C5 C6 sing N N 140
|
| 1267 |
+
G C5 C4 doub Y N 141
|
| 1268 |
+
G C6 O6 doub N N 142
|
| 1269 |
+
G C6 N1 sing N N 143
|
| 1270 |
+
G N1 C2 sing N N 144
|
| 1271 |
+
G N1 H1 sing N N 145
|
| 1272 |
+
G C2 N2 sing N N 146
|
| 1273 |
+
G C2 N3 doub N N 147
|
| 1274 |
+
G N2 H21 sing N N 148
|
| 1275 |
+
G N2 H22 sing N N 149
|
| 1276 |
+
G N3 C4 sing N N 150
|
| 1277 |
+
U OP3 P sing N N 151
|
| 1278 |
+
U OP3 HOP3 sing N N 152
|
| 1279 |
+
U P OP1 doub N N 153
|
| 1280 |
+
U P OP2 sing N N 154
|
| 1281 |
+
U P "O5'" sing N N 155
|
| 1282 |
+
U OP2 HOP2 sing N N 156
|
| 1283 |
+
U "O5'" "C5'" sing N N 157
|
| 1284 |
+
U "C5'" "C4'" sing N N 158
|
| 1285 |
+
U "C5'" "H5'" sing N N 159
|
| 1286 |
+
U "C5'" "H5''" sing N N 160
|
| 1287 |
+
U "C4'" "O4'" sing N N 161
|
| 1288 |
+
U "C4'" "C3'" sing N N 162
|
| 1289 |
+
U "C4'" "H4'" sing N N 163
|
| 1290 |
+
U "O4'" "C1'" sing N N 164
|
| 1291 |
+
U "C3'" "O3'" sing N N 165
|
| 1292 |
+
U "C3'" "C2'" sing N N 166
|
| 1293 |
+
U "C3'" "H3'" sing N N 167
|
| 1294 |
+
U "O3'" "HO3'" sing N N 168
|
| 1295 |
+
U "C2'" "O2'" sing N N 169
|
| 1296 |
+
U "C2'" "C1'" sing N N 170
|
| 1297 |
+
U "C2'" "H2'" sing N N 171
|
| 1298 |
+
U "O2'" "HO2'" sing N N 172
|
| 1299 |
+
U "C1'" N1 sing N N 173
|
| 1300 |
+
U "C1'" "H1'" sing N N 174
|
| 1301 |
+
U N1 C2 sing N N 175
|
| 1302 |
+
U N1 C6 sing N N 176
|
| 1303 |
+
U C2 O2 doub N N 177
|
| 1304 |
+
U C2 N3 sing N N 178
|
| 1305 |
+
U N3 C4 sing N N 179
|
| 1306 |
+
U N3 H3 sing N N 180
|
| 1307 |
+
U C4 O4 doub N N 181
|
| 1308 |
+
U C4 C5 sing N N 182
|
| 1309 |
+
U C5 C6 doub N N 183
|
| 1310 |
+
U C5 H5 sing N N 184
|
| 1311 |
+
U C6 H6 sing N N 185
|
| 1312 |
+
#
|
| 1313 |
+
loop_
|
| 1314 |
+
_ndb_struct_conf_na.entry_id
|
| 1315 |
+
_ndb_struct_conf_na.feature
|
| 1316 |
+
5XWG 'a-form double helix'
|
| 1317 |
+
5XWG 'mismatched base pair'
|
| 1318 |
+
#
|
| 1319 |
+
loop_
|
| 1320 |
+
_ndb_struct_na_base_pair.model_number
|
| 1321 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1322 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1323 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1324 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1325 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1326 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1327 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1328 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1329 |
+
_ndb_struct_na_base_pair.shear
|
| 1330 |
+
_ndb_struct_na_base_pair.stretch
|
| 1331 |
+
_ndb_struct_na_base_pair.stagger
|
| 1332 |
+
_ndb_struct_na_base_pair.buckle
|
| 1333 |
+
_ndb_struct_na_base_pair.propeller
|
| 1334 |
+
_ndb_struct_na_base_pair.opening
|
| 1335 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1336 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1337 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1338 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1339 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1340 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1341 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1342 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1343 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1344 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1345 |
+
1 A G 2 1_555 A U 14 14_445 -2.472 -0.780 0.165 9.136 -7.678 -3.081 1 A_G6:U18_A A 6 ? A 18 ? 28 1
|
| 1346 |
+
1 A C 3 1_555 A G 13 14_445 -0.227 -0.219 -0.058 7.232 -11.520 -6.160 2 A_C7:G17_A A 7 ? A 17 ? 19 1
|
| 1347 |
+
1 A U 4 1_555 A A 12 14_445 0.041 -0.495 0.127 2.947 -7.786 -0.205 3 A_U8:A16_A A 8 ? A 16 ? 20 1
|
| 1348 |
+
1 A 5BU 5 1_555 A A 11 14_445 -0.301 -0.165 0.102 0.962 -3.572 -1.588 4 A_5BU9:A15_A A 9 ? A 15 ? 20 1
|
| 1349 |
+
1 A C 6 1_555 A A 10 14_445 2.437 -0.490 0.037 8.442 -1.463 2.663 5 A_C10:A14_A A 10 ? A 14 ? ? 1
|
| 1350 |
+
1 A G 7 1_555 A A 9 14_445 7.069 -4.693 1.128 15.527 -14.714 3.323 6 A_G11:A13_A A 11 ? A 13 ? 11 9
|
| 1351 |
+
1 A G 2 14_445 A U 14 1_555 -2.472 -0.780 0.165 9.136 -7.678 -3.081 7 A_G6:U18_A A 6 ? A 18 ? 28 1
|
| 1352 |
+
1 A C 3 14_445 A G 13 1_555 -0.227 -0.219 -0.058 7.232 -11.520 -6.160 8 A_C7:G17_A A 7 ? A 17 ? 19 1
|
| 1353 |
+
1 A U 4 14_445 A A 12 1_555 0.041 -0.495 0.127 2.947 -7.786 -0.205 9 A_U8:A16_A A 8 ? A 16 ? 20 1
|
| 1354 |
+
1 A 5BU 5 14_445 A A 11 1_555 -0.301 -0.165 0.102 0.962 -3.572 -1.588 10 A_5BU9:A15_A A 9 ? A 15 ? 20 1
|
| 1355 |
+
1 A C 6 14_445 A A 10 1_555 2.437 -0.490 0.037 8.442 -1.463 2.663 11 A_C10:A14_A A 10 ? A 14 ? ? 1
|
| 1356 |
+
1 A G 7 14_445 A A 9 1_555 7.069 -4.693 1.128 15.527 -14.714 3.323 12 A_G11:A13_A A 11 ? A 13 ? 11 9
|
| 1357 |
+
#
|
| 1358 |
+
loop_
|
| 1359 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1360 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1361 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1362 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1363 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1364 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1365 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1366 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1367 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1368 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1369 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1370 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1371 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1372 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1373 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1374 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1375 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1376 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1377 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1378 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1379 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1380 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1381 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1382 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1383 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1384 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1385 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1386 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1387 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1388 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1389 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1390 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1391 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1392 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1393 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1394 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1395 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1396 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1397 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1398 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1399 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1400 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1401 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1402 |
+
1 A G 2 1_555 A U 14 14_445 A C 3 1_555 A G 13 14_445 -0.558 -1.226 3.199 -2.942 3.515 43.394 -1.977 0.478 3.125 4.738
|
| 1403 |
+
3.966 43.623 1 AA_G6C7:G17U18_AA A 6 ? A 18 ? A 7 ? A 17 ?
|
| 1404 |
+
1 A C 3 1_555 A G 13 14_445 A U 4 1_555 A A 12 14_445 1.031 -2.496 3.208 0.367 7.418 29.187 -6.158 -1.918 2.524 14.429
|
| 1405 |
+
-0.714 30.097 2 AA_C7U8:A16G17_AA A 7 ? A 17 ? A 8 ? A 16 ?
|
| 1406 |
+
1 A U 4 1_555 A A 12 14_445 A 5BU 5 1_555 A A 11 14_445 -0.715 -2.313 3.186 -0.785 7.236 30.701 -5.465 1.185 2.603 13.431
|
| 1407 |
+
1.457 31.532 3 AA_U85BU9:A15A16_AA A 8 ? A 16 ? A 9 ? A 15 ?
|
| 1408 |
+
1 A 5BU 5 1_555 A A 11 14_445 A C 6 1_555 A A 10 14_445 0.137 -1.178 3.149 3.813 5.386 40.720 -2.221 0.193 2.977 7.679
|
| 1409 |
+
-5.437 41.229 4 AA_5BU9C10:A14A15_AA A 9 ? A 15 ? A 10 ? A 14 ?
|
| 1410 |
+
1 A C 6 1_555 A A 10 14_445 A G 7 1_555 A A 9 14_445 0.662 -0.560 3.367 7.860 11.054 52.775 -1.306 -0.231 3.258 12.208
|
| 1411 |
+
-8.681 54.369 5 AA_C10G11:A13A14_AA A 10 ? A 14 ? A 11 ? A 13 ?
|
| 1412 |
+
1 A G 2 14_445 A U 14 1_555 A C 3 14_445 A G 13 1_555 -0.558 -1.226 3.199 -2.942 3.515 43.394 -1.977 0.478 3.125 4.738
|
| 1413 |
+
3.966 43.623 6 AA_G6C7:G17U18_AA A 6 ? A 18 ? A 7 ? A 17 ?
|
| 1414 |
+
1 A C 3 14_445 A G 13 1_555 A U 4 14_445 A A 12 1_555 1.031 -2.496 3.208 0.367 7.418 29.187 -6.158 -1.918 2.524 14.429
|
| 1415 |
+
-0.714 30.097 7 AA_C7U8:A16G17_AA A 7 ? A 17 ? A 8 ? A 16 ?
|
| 1416 |
+
1 A U 4 14_445 A A 12 1_555 A 5BU 5 14_445 A A 11 1_555 -0.715 -2.313 3.186 -0.785 7.236 30.701 -5.465 1.185 2.603 13.431
|
| 1417 |
+
1.457 31.532 8 AA_U85BU9:A15A16_AA A 8 ? A 16 ? A 9 ? A 15 ?
|
| 1418 |
+
1 A 5BU 5 14_445 A A 11 1_555 A C 6 14_445 A A 10 1_555 0.137 -1.178 3.149 3.813 5.386 40.720 -2.221 0.193 2.977 7.679
|
| 1419 |
+
-5.437 41.229 9 AA_5BU9C10:A14A15_AA A 9 ? A 15 ? A 10 ? A 14 ?
|
| 1420 |
+
1 A C 6 14_445 A A 10 1_555 A G 7 14_445 A A 9 1_555 0.662 -0.560 3.367 7.860 11.054 52.775 -1.306 -0.231 3.258 12.208
|
| 1421 |
+
-8.681 54.369 10 AA_C10G11:A13A14_AA A 10 ? A 14 ? A 11 ? A 13 ?
|
| 1422 |
+
#
|
| 1423 |
+
loop_
|
| 1424 |
+
_pdbx_audit_support.funding_organization
|
| 1425 |
+
_pdbx_audit_support.country
|
| 1426 |
+
_pdbx_audit_support.grant_number
|
| 1427 |
+
_pdbx_audit_support.ordinal
|
| 1428 |
+
'the Ichiro Kanehara Foundation' Japan ? 1
|
| 1429 |
+
AMED Japan ? 2
|
| 1430 |
+
'the Japan Science Society' Japan ? 3
|
| 1431 |
+
#
|
| 1432 |
+
_pdbx_entity_instance_feature.ordinal 1
|
| 1433 |
+
_pdbx_entity_instance_feature.comp_id SR
|
| 1434 |
+
_pdbx_entity_instance_feature.asym_id ?
|
| 1435 |
+
_pdbx_entity_instance_feature.seq_num ?
|
| 1436 |
+
_pdbx_entity_instance_feature.auth_comp_id SR
|
| 1437 |
+
_pdbx_entity_instance_feature.auth_asym_id ?
|
| 1438 |
+
_pdbx_entity_instance_feature.auth_seq_num ?
|
| 1439 |
+
_pdbx_entity_instance_feature.feature_type 'SUBJECT OF INVESTIGATION'
|
| 1440 |
+
_pdbx_entity_instance_feature.details ?
|
| 1441 |
+
#
|
| 1442 |
+
_atom_sites.entry_id 5XWG
|
| 1443 |
+
_atom_sites.fract_transf_matrix[1][1] 0.012416
|
| 1444 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 1445 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 1446 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1447 |
+
_atom_sites.fract_transf_matrix[2][2] 0.012416
|
| 1448 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1449 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1450 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1451 |
+
_atom_sites.fract_transf_matrix[3][3] 0.012416
|
| 1452 |
+
_atom_sites.fract_transf_vector[1] 0.000000
|
| 1453 |
+
_atom_sites.fract_transf_vector[2] 0.000000
|
| 1454 |
+
_atom_sites.fract_transf_vector[3] 0.000000
|
| 1455 |
+
#
|
| 1456 |
+
loop_
|
| 1457 |
+
_atom_type.symbol
|
| 1458 |
+
BR
|
| 1459 |
+
C
|
| 1460 |
+
N
|
| 1461 |
+
O
|
| 1462 |
+
P
|
| 1463 |
+
SR
|
| 1464 |
+
#
|
| 1465 |
+
loop_
|
| 1466 |
+
_atom_site.group_PDB
|
| 1467 |
+
_atom_site.id
|
| 1468 |
+
_atom_site.type_symbol
|
| 1469 |
+
_atom_site.label_atom_id
|
| 1470 |
+
_atom_site.label_alt_id
|
| 1471 |
+
_atom_site.label_comp_id
|
| 1472 |
+
_atom_site.label_asym_id
|
| 1473 |
+
_atom_site.label_entity_id
|
| 1474 |
+
_atom_site.label_seq_id
|
| 1475 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1476 |
+
_atom_site.Cartn_x
|
| 1477 |
+
_atom_site.Cartn_y
|
| 1478 |
+
_atom_site.Cartn_z
|
| 1479 |
+
_atom_site.occupancy
|
| 1480 |
+
_atom_site.B_iso_or_equiv
|
| 1481 |
+
_atom_site.pdbx_formal_charge
|
| 1482 |
+
_atom_site.auth_seq_id
|
| 1483 |
+
_atom_site.auth_comp_id
|
| 1484 |
+
_atom_site.auth_asym_id
|
| 1485 |
+
_atom_site.auth_atom_id
|
| 1486 |
+
_atom_site.pdbx_PDB_model_num
|
| 1487 |
+
ATOM 1 P P A C A 1 1 ? -42.901 -36.930 13.088 0.50 109.95 ? 5 C A P 1
|
| 1488 |
+
ATOM 2 P P B C A 1 1 ? -44.732 -36.672 11.429 0.50 121.72 ? 5 C A P 1
|
| 1489 |
+
ATOM 3 O OP1 A C A 1 1 ? -43.243 -37.597 11.759 0.50 111.40 ? 5 C A OP1 1
|
| 1490 |
+
ATOM 4 O OP1 B C A 1 1 ? -45.564 -37.439 10.405 0.50 114.58 ? 5 C A OP1 1
|
| 1491 |
+
ATOM 5 O OP2 A C A 1 1 ? -42.993 -35.411 12.998 0.50 108.79 ? 5 C A OP2 1
|
| 1492 |
+
ATOM 6 O OP2 B C A 1 1 ? -45.020 -35.176 11.384 0.50 116.31 ? 5 C A OP2 1
|
| 1493 |
+
ATOM 7 O "O5'" A C A 1 1 ? -44.042 -37.390 14.167 0.50 104.36 ? 5 C A "O5'" 1
|
| 1494 |
+
ATOM 8 O "O5'" B C A 1 1 ? -45.202 -37.181 12.911 0.50 105.06 ? 5 C A "O5'" 1
|
| 1495 |
+
ATOM 9 C "C5'" A C A 1 1 ? -45.436 -37.094 13.938 0.50 98.59 ? 5 C A "C5'" 1
|
| 1496 |
+
ATOM 10 C "C5'" B C A 1 1 ? -46.571 -37.032 13.342 0.50 100.72 ? 5 C A "C5'" 1
|
| 1497 |
+
ATOM 11 C "C4'" A C A 1 1 ? -46.302 -37.697 15.026 0.50 96.21 ? 5 C A "C4'" 1
|
| 1498 |
+
ATOM 12 C "C4'" B C A 1 1 ? -46.778 -37.656 14.708 0.50 96.50 ? 5 C A "C4'" 1
|
| 1499 |
+
ATOM 13 O "O4'" A C A 1 1 ? -45.773 -38.985 15.440 0.50 96.63 ? 5 C A "O4'" 1
|
| 1500 |
+
ATOM 14 O "O4'" B C A 1 1 ? -45.982 -38.863 14.841 0.50 97.88 ? 5 C A "O4'" 1
|
| 1501 |
+
ATOM 15 C "C3'" A C A 1 1 ? -46.424 -36.956 16.349 0.50 93.84 ? 5 C A "C3'" 1
|
| 1502 |
+
ATOM 16 C "C3'" B C A 1 1 ? -46.368 -36.859 15.938 0.50 94.46 ? 5 C A "C3'" 1
|
| 1503 |
+
ATOM 17 O "O3'" . C A 1 1 ? -47.315 -35.840 16.268 1.00 93.20 ? 5 C A "O3'" 1
|
| 1504 |
+
ATOM 18 C "C2'" A C A 1 1 ? -47.006 -38.048 17.234 0.50 91.72 ? 5 C A "C2'" 1
|
| 1505 |
+
ATOM 19 C "C2'" B C A 1 1 ? -46.362 -37.954 16.996 0.50 91.41 ? 5 C A "C2'" 1
|
| 1506 |
+
ATOM 20 O "O2'" A C A 1 1 ? -48.389 -38.229 17.006 0.50 91.18 ? 5 C A "O2'" 1
|
| 1507 |
+
ATOM 21 O "O2'" B C A 1 1 ? -47.669 -38.278 17.425 0.50 91.97 ? 5 C A "O2'" 1
|
| 1508 |
+
ATOM 22 C "C1'" A C A 1 1 ? -46.237 -39.281 16.748 0.50 90.77 ? 5 C A "C1'" 1
|
| 1509 |
+
ATOM 23 C "C1'" B C A 1 1 ? -45.766 -39.132 16.218 0.50 92.73 ? 5 C A "C1'" 1
|
| 1510 |
+
ATOM 24 N N1 A C A 1 1 ? -45.077 -39.609 17.594 0.50 85.26 ? 5 C A N1 1
|
| 1511 |
+
ATOM 25 N N1 B C A 1 1 ? -44.321 -39.301 16.442 0.50 85.26 ? 5 C A N1 1
|
| 1512 |
+
ATOM 26 C C2 A C A 1 1 ? -45.295 -39.943 18.943 0.50 86.19 ? 5 C A C2 1
|
| 1513 |
+
ATOM 27 C C2 B C A 1 1 ? -43.866 -39.581 17.744 0.50 83.85 ? 5 C A C2 1
|
| 1514 |
+
ATOM 28 O O2 A C A 1 1 ? -46.463 -40.020 19.369 0.50 85.84 ? 5 C A O2 1
|
| 1515 |
+
ATOM 29 O O2 B C A 1 1 ? -44.698 -39.746 18.656 0.50 85.78 ? 5 C A O2 1
|
| 1516 |
+
ATOM 30 N N3 A C A 1 1 ? -44.228 -40.174 19.747 0.50 83.61 ? 5 C A N3 1
|
| 1517 |
+
ATOM 31 N N3 B C A 1 1 ? -42.533 -39.666 17.973 0.50 85.10 ? 5 C A N3 1
|
| 1518 |
+
ATOM 32 C C4 A C A 1 1 ? -42.988 -40.089 19.251 0.50 79.73 ? 5 C A C4 1
|
| 1519 |
+
ATOM 33 C C4 B C A 1 1 ? -41.670 -39.490 16.966 0.50 82.07 ? 5 C A C4 1
|
| 1520 |
+
ATOM 34 N N4 A C A 1 1 ? -41.965 -40.266 20.094 0.50 78.76 ? 5 C A N4 1
|
| 1521 |
+
ATOM 35 N N4 B C A 1 1 ? -40.363 -39.522 17.249 0.50 78.64 ? 5 C A N4 1
|
| 1522 |
+
ATOM 36 C C5 A C A 1 1 ? -42.742 -39.805 17.871 0.50 82.56 ? 5 C A C5 1
|
| 1523 |
+
ATOM 37 C C5 B C A 1 1 ? -42.109 -39.258 15.624 0.50 83.88 ? 5 C A C5 1
|
| 1524 |
+
ATOM 38 C C6 A C A 1 1 ? -43.806 -39.571 17.088 0.50 84.11 ? 5 C A C6 1
|
| 1525 |
+
ATOM 39 C C6 B C A 1 1 ? -43.430 -39.169 15.412 0.50 85.17 ? 5 C A C6 1
|
| 1526 |
+
ATOM 40 P P . G A 1 2 ? -47.055 -34.626 17.214 1.00 95.29 ? 6 G A P 1
|
| 1527 |
+
ATOM 41 O OP1 . G A 1 2 ? -48.130 -33.571 17.087 1.00 106.05 ? 6 G A OP1 1
|
| 1528 |
+
ATOM 42 O OP2 . G A 1 2 ? -45.639 -34.080 17.106 1.00 88.78 ? 6 G A OP2 1
|
| 1529 |
+
ATOM 43 O "O5'" . G A 1 2 ? -47.143 -35.150 18.753 1.00 91.36 ? 6 G A "O5'" 1
|
| 1530 |
+
ATOM 44 C "C5'" . G A 1 2 ? -48.413 -35.428 19.372 1.00 92.87 ? 6 G A "C5'" 1
|
| 1531 |
+
ATOM 45 C "C4'" . G A 1 2 ? -48.196 -35.917 20.778 1.00 86.93 ? 6 G A "C4'" 1
|
| 1532 |
+
ATOM 46 O "O4'" . G A 1 2 ? -47.302 -37.053 20.726 1.00 83.23 ? 6 G A "O4'" 1
|
| 1533 |
+
ATOM 47 C "C3'" . G A 1 2 ? -47.478 -34.930 21.680 1.00 91.69 ? 6 G A "C3'" 1
|
| 1534 |
+
ATOM 48 O "O3'" . G A 1 2 ? -48.411 -34.012 22.236 1.00 94.16 ? 6 G A "O3'" 1
|
| 1535 |
+
ATOM 49 C "C2'" . G A 1 2 ? -46.846 -35.845 22.726 1.00 91.69 ? 6 G A "C2'" 1
|
| 1536 |
+
ATOM 50 O "O2'" . G A 1 2 ? -47.696 -36.188 23.802 1.00 86.81 ? 6 G A "O2'" 1
|
| 1537 |
+
ATOM 51 C "C1'" . G A 1 2 ? -46.514 -37.091 21.897 1.00 85.40 ? 6 G A "C1'" 1
|
| 1538 |
+
ATOM 52 N N9 . G A 1 2 ? -45.113 -37.161 21.500 1.00 77.63 ? 6 G A N9 1
|
| 1539 |
+
ATOM 53 C C8 . G A 1 2 ? -44.600 -37.038 20.234 1.00 81.06 ? 6 G A C8 1
|
| 1540 |
+
ATOM 54 N N7 . G A 1 2 ? -43.295 -37.119 20.203 1.00 79.33 ? 6 G A N7 1
|
| 1541 |
+
ATOM 55 C C5 . G A 1 2 ? -42.930 -37.322 21.527 1.00 74.22 ? 6 G A C5 1
|
| 1542 |
+
ATOM 56 C C6 . G A 1 2 ? -41.640 -37.481 22.115 1.00 75.14 ? 6 G A C6 1
|
| 1543 |
+
ATOM 57 O O6 . G A 1 2 ? -40.531 -37.517 21.552 1.00 72.27 ? 6 G A O6 1
|
| 1544 |
+
ATOM 58 N N1 . G A 1 2 ? -41.720 -37.616 23.497 1.00 71.62 ? 6 G A N1 1
|
| 1545 |
+
ATOM 59 C C2 . G A 1 2 ? -42.895 -37.620 24.218 1.00 80.16 ? 6 G A C2 1
|
| 1546 |
+
ATOM 60 N N2 . G A 1 2 ? -42.777 -37.736 25.556 1.00 88.19 ? 6 G A N2 1
|
| 1547 |
+
ATOM 61 N N3 . G A 1 2 ? -44.105 -37.508 23.674 1.00 81.09 ? 6 G A N3 1
|
| 1548 |
+
ATOM 62 C C4 . G A 1 2 ? -44.042 -37.353 22.338 1.00 76.66 ? 6 G A C4 1
|
| 1549 |
+
ATOM 63 P P . C A 1 3 ? -48.015 -32.456 22.375 1.00 92.17 ? 7 C A P 1
|
| 1550 |
+
ATOM 64 O OP1 . C A 1 3 ? -49.273 -31.690 22.617 1.00 89.78 ? 7 C A OP1 1
|
| 1551 |
+
ATOM 65 O OP2 . C A 1 3 ? -47.117 -32.073 21.249 1.00 86.82 ? 7 C A OP2 1
|
| 1552 |
+
ATOM 66 O "O5'" . C A 1 3 ? -47.118 -32.408 23.686 1.00 93.81 ? 7 C A "O5'" 1
|
| 1553 |
+
ATOM 67 C "C5'" . C A 1 3 ? -47.617 -32.871 24.933 1.00 93.65 ? 7 C A "C5'" 1
|
| 1554 |
+
ATOM 68 C "C4'" . C A 1 3 ? -46.470 -33.164 25.862 1.00 84.27 ? 7 C A "C4'" 1
|
| 1555 |
+
ATOM 69 O "O4'" . C A 1 3 ? -45.772 -34.359 25.418 1.00 82.28 ? 7 C A "O4'" 1
|
| 1556 |
+
ATOM 70 C "C3'" . C A 1 3 ? -45.356 -32.125 25.883 1.00 79.46 ? 7 C A "C3'" 1
|
| 1557 |
+
ATOM 71 O "O3'" . C A 1 3 ? -45.685 -30.964 26.638 1.00 75.93 ? 7 C A "O3'" 1
|
| 1558 |
+
ATOM 72 C "C2'" . C A 1 3 ? -44.244 -32.930 26.526 1.00 74.79 ? 7 C A "C2'" 1
|
| 1559 |
+
ATOM 73 O "O2'" . C A 1 3 ? -44.519 -33.156 27.892 1.00 103.25 ? 7 C A "O2'" 1
|
| 1560 |
+
ATOM 74 C "C1'" . C A 1 3 ? -44.395 -34.252 25.773 1.00 81.11 ? 7 C A "C1'" 1
|
| 1561 |
+
ATOM 75 N N1 . C A 1 3 ? -43.585 -34.276 24.549 1.00 71.37 ? 7 C A N1 1
|
| 1562 |
+
ATOM 76 C C2 . C A 1 3 ? -42.199 -34.395 24.672 1.00 76.32 ? 7 C A C2 1
|
| 1563 |
+
ATOM 77 O O2 . C A 1 3 ? -41.710 -34.474 25.809 1.00 82.67 ? 7 C A O2 1
|
| 1564 |
+
ATOM 78 N N3 . C A 1 3 ? -41.432 -34.418 23.554 1.00 77.31 ? 7 C A N3 1
|
| 1565 |
+
ATOM 79 C C4 . C A 1 3 ? -42.010 -34.321 22.354 1.00 82.21 ? 7 C A C4 1
|
| 1566 |
+
ATOM 80 N N4 . C A 1 3 ? -41.228 -34.342 21.280 1.00 76.10 ? 7 C A N4 1
|
| 1567 |
+
ATOM 81 C C5 . C A 1 3 ? -43.422 -34.197 22.203 1.00 81.89 ? 7 C A C5 1
|
| 1568 |
+
ATOM 82 C C6 . C A 1 3 ? -44.165 -34.182 23.315 1.00 78.84 ? 7 C A C6 1
|
| 1569 |
+
ATOM 83 P P . U A 1 4 ? -45.379 -29.502 26.031 1.00 92.24 ? 8 U A P 1
|
| 1570 |
+
ATOM 84 O OP1 . U A 1 4 ? -45.910 -28.532 27.019 1.00 104.04 ? 8 U A OP1 1
|
| 1571 |
+
ATOM 85 O OP2 . U A 1 4 ? -45.857 -29.445 24.629 1.00 91.83 ? 8 U A OP2 1
|
| 1572 |
+
ATOM 86 O "O5'" . U A 1 4 ? -43.787 -29.387 26.023 1.00 81.46 ? 8 U A "O5'" 1
|
| 1573 |
+
ATOM 87 C "C5'" . U A 1 4 ? -43.064 -29.432 27.241 1.00 82.78 ? 8 U A "C5'" 1
|
| 1574 |
+
ATOM 88 C "C4'" . U A 1 4 ? -41.593 -29.652 26.989 1.00 77.34 ? 8 U A "C4'" 1
|
| 1575 |
+
ATOM 89 O "O4'" . U A 1 4 ? -41.376 -30.785 26.115 1.00 84.22 ? 8 U A "O4'" 1
|
| 1576 |
+
ATOM 90 C "C3'" . U A 1 4 ? -40.811 -28.572 26.270 1.00 78.62 ? 8 U A "C3'" 1
|
| 1577 |
+
ATOM 91 O "O3'" . U A 1 4 ? -40.597 -27.451 27.120 1.00 89.71 ? 8 U A "O3'" 1
|
| 1578 |
+
ATOM 92 C "C2'" . U A 1 4 ? -39.515 -29.323 25.956 1.00 83.82 ? 8 U A "C2'" 1
|
| 1579 |
+
ATOM 93 O "O2'" . U A 1 4 ? -38.623 -29.448 27.040 1.00 84.39 ? 8 U A "O2'" 1
|
| 1580 |
+
ATOM 94 C "C1'" . U A 1 4 ? -40.047 -30.716 25.610 1.00 81.76 ? 8 U A "C1'" 1
|
| 1581 |
+
ATOM 95 N N1 . U A 1 4 ? -40.064 -30.946 24.158 1.00 82.12 ? 8 U A N1 1
|
| 1582 |
+
ATOM 96 C C2 . U A 1 4 ? -38.839 -31.069 23.535 1.00 86.67 ? 8 U A C2 1
|
| 1583 |
+
ATOM 97 O O2 . U A 1 4 ? -37.783 -31.016 24.141 1.00 83.01 ? 8 U A O2 1
|
| 1584 |
+
ATOM 98 N N3 . U A 1 4 ? -38.890 -31.259 22.168 1.00 80.90 ? 8 U A N3 1
|
| 1585 |
+
ATOM 99 C C4 . U A 1 4 ? -40.022 -31.331 21.390 1.00 84.84 ? 8 U A C4 1
|
| 1586 |
+
ATOM 100 O O4 . U A 1 4 ? -39.941 -31.504 20.169 1.00 88.12 ? 8 U A O4 1
|
| 1587 |
+
ATOM 101 C C5 . U A 1 4 ? -41.255 -31.188 22.126 1.00 81.77 ? 8 U A C5 1
|
| 1588 |
+
ATOM 102 C C6 . U A 1 4 ? -41.246 -31.008 23.462 1.00 72.92 ? 8 U A C6 1
|
| 1589 |
+
HETATM 103 P P . 5BU A 1 5 ? -40.373 -25.985 26.484 1.00 101.54 ? 9 5BU A P 1
|
| 1590 |
+
HETATM 104 O OP1 . 5BU A 1 5 ? -40.535 -25.025 27.608 1.00 101.92 ? 9 5BU A OP1 1
|
| 1591 |
+
HETATM 105 O OP2 . 5BU A 1 5 ? -41.226 -25.834 25.274 1.00 97.23 ? 9 5BU A OP2 1
|
| 1592 |
+
HETATM 106 O "O5'" . 5BU A 1 5 ? -38.842 -26.001 26.032 1.00 79.21 ? 9 5BU A "O5'" 1
|
| 1593 |
+
HETATM 107 C "C5'" . 5BU A 1 5 ? -37.805 -26.129 26.991 1.00 78.82 ? 9 5BU A "C5'" 1
|
| 1594 |
+
HETATM 108 C "C4'" . 5BU A 1 5 ? -36.463 -26.115 26.311 1.00 79.69 ? 9 5BU A "C4'" 1
|
| 1595 |
+
HETATM 109 O "O4'" . 5BU A 1 5 ? -36.259 -27.339 25.563 1.00 96.52 ? 9 5BU A "O4'" 1
|
| 1596 |
+
HETATM 110 C "C3'" . 5BU A 1 5 ? -36.257 -25.017 25.284 1.00 85.11 ? 9 5BU A "C3'" 1
|
| 1597 |
+
HETATM 111 O "O3'" . 5BU A 1 5 ? -35.891 -23.818 25.942 1.00 92.52 ? 9 5BU A "O3'" 1
|
| 1598 |
+
HETATM 112 C "C2'" . 5BU A 1 5 ? -35.103 -25.576 24.454 1.00 92.08 ? 9 5BU A "C2'" 1
|
| 1599 |
+
HETATM 113 O "O2'" . 5BU A 1 5 ? -33.821 -25.331 24.992 1.00 97.04 ? 9 5BU A "O2'" 1
|
| 1600 |
+
HETATM 114 C "C1'" . 5BU A 1 5 ? -35.422 -27.076 24.442 1.00 92.95 ? 9 5BU A "C1'" 1
|
| 1601 |
+
HETATM 115 N N1 . 5BU A 1 5 ? -36.139 -27.480 23.221 1.00 94.44 ? 9 5BU A N1 1
|
| 1602 |
+
HETATM 116 C C2 . 5BU A 1 5 ? -35.394 -27.686 22.077 1.00 96.55 ? 9 5BU A C2 1
|
| 1603 |
+
HETATM 117 O O2 . 5BU A 1 5 ? -34.184 -27.555 22.045 1.00 100.35 ? 9 5BU A O2 1
|
| 1604 |
+
HETATM 118 N N3 . 5BU A 1 5 ? -36.122 -28.042 20.970 1.00 93.47 ? 9 5BU A N3 1
|
| 1605 |
+
HETATM 119 C C4 . 5BU A 1 5 ? -37.488 -28.202 20.898 1.00 92.85 ? 9 5BU A C4 1
|
| 1606 |
+
HETATM 120 O O4 . 5BU A 1 5 ? -38.008 -28.521 19.834 1.00 96.92 ? 9 5BU A O4 1
|
| 1607 |
+
HETATM 121 C C5 . 5BU A 1 5 ? -38.178 -27.973 22.116 1.00 84.78 ? 9 5BU A C5 1
|
| 1608 |
+
HETATM 122 C C6 . 5BU A 1 5 ? -37.502 -27.633 23.211 1.00 86.45 ? 9 5BU A C6 1
|
| 1609 |
+
HETATM 123 BR BR . 5BU A 1 5 ? -40.093 -27.997 22.135 1.00 146.52 ? 9 5BU A BR 1
|
| 1610 |
+
ATOM 124 P P . C A 1 6 ? -36.271 -22.397 25.301 1.00 100.44 ? 10 C A P 1
|
| 1611 |
+
ATOM 125 O OP1 . C A 1 6 ? -35.732 -21.400 26.256 1.00 97.70 ? 10 C A OP1 1
|
| 1612 |
+
ATOM 126 O OP2 . C A 1 6 ? -37.712 -22.371 24.950 1.00 97.61 ? 10 C A OP2 1
|
| 1613 |
+
ATOM 127 O "O5'" . C A 1 6 ? -35.392 -22.329 23.972 1.00 91.12 ? 10 C A "O5'" 1
|
| 1614 |
+
ATOM 128 C "C5'" . C A 1 6 ? -33.975 -22.166 24.048 1.00 91.69 ? 10 C A "C5'" 1
|
| 1615 |
+
ATOM 129 C "C4'" . C A 1 6 ? -33.349 -22.260 22.673 1.00 96.44 ? 10 C A "C4'" 1
|
| 1616 |
+
ATOM 130 O "O4'" . C A 1 6 ? -33.493 -23.604 22.149 1.00 97.57 ? 10 C A "O4'" 1
|
| 1617 |
+
ATOM 131 C "C3'" . C A 1 6 ? -33.924 -21.365 21.589 1.00 94.01 ? 10 C A "C3'" 1
|
| 1618 |
+
ATOM 132 O "O3'" . C A 1 6 ? -33.322 -20.079 21.644 1.00 99.91 ? 10 C A "O3'" 1
|
| 1619 |
+
ATOM 133 C "C2'" . C A 1 6 ? -33.491 -22.092 20.322 1.00 92.80 ? 10 C A "C2'" 1
|
| 1620 |
+
ATOM 134 O "O2'" . C A 1 6 ? -32.166 -21.820 19.924 1.00 114.25 ? 10 C A "O2'" 1
|
| 1621 |
+
ATOM 135 C "C1'" . C A 1 6 ? -33.633 -23.555 20.741 1.00 91.75 ? 10 C A "C1'" 1
|
| 1622 |
+
ATOM 136 N N1 . C A 1 6 ? -34.956 -24.080 20.394 1.00 95.85 ? 10 C A N1 1
|
| 1623 |
+
ATOM 137 C C2 . C A 1 6 ? -35.140 -24.669 19.135 1.00 97.91 ? 10 C A C2 1
|
| 1624 |
+
ATOM 138 O O2 . C A 1 6 ? -34.175 -24.748 18.354 1.00 109.00 ? 10 C A O2 1
|
| 1625 |
+
ATOM 139 N N3 . C A 1 6 ? -36.357 -25.122 18.797 1.00 93.70 ? 10 C A N3 1
|
| 1626 |
+
ATOM 140 C C4 . C A 1 6 ? -37.375 -25.007 19.659 1.00 98.98 ? 10 C A C4 1
|
| 1627 |
+
ATOM 141 N N4 . C A 1 6 ? -38.569 -25.448 19.282 1.00 100.86 ? 10 C A N4 1
|
| 1628 |
+
ATOM 142 C C5 . C A 1 6 ? -37.212 -24.426 20.949 1.00 97.66 ? 10 C A C5 1
|
| 1629 |
+
ATOM 143 C C6 . C A 1 6 ? -35.996 -23.983 21.272 1.00 98.22 ? 10 C A C6 1
|
| 1630 |
+
ATOM 144 P P . G A 1 7 ? -34.219 -18.763 21.425 1.00 110.20 ? 11 G A P 1
|
| 1631 |
+
ATOM 145 O OP1 . G A 1 7 ? -33.262 -17.623 21.482 1.00 116.66 ? 11 G A OP1 1
|
| 1632 |
+
ATOM 146 O OP2 . G A 1 7 ? -35.399 -18.794 22.335 1.00 95.03 ? 11 G A OP2 1
|
| 1633 |
+
ATOM 147 O "O5'" . G A 1 7 ? -34.759 -18.880 19.931 1.00 103.80 ? 11 G A "O5'" 1
|
| 1634 |
+
ATOM 148 C "C5'" . G A 1 7 ? -33.864 -18.878 18.829 1.00 99.44 ? 11 G A "C5'" 1
|
| 1635 |
+
ATOM 149 C "C4'" . G A 1 7 ? -34.604 -19.248 17.575 1.00 98.29 ? 11 G A "C4'" 1
|
| 1636 |
+
ATOM 150 O "O4'" . G A 1 7 ? -35.135 -20.588 17.743 1.00 101.85 ? 11 G A "O4'" 1
|
| 1637 |
+
ATOM 151 C "C3'" . G A 1 7 ? -35.821 -18.387 17.260 1.00 98.91 ? 11 G A "C3'" 1
|
| 1638 |
+
ATOM 152 O "O3'" . G A 1 7 ? -35.432 -17.252 16.488 1.00 100.90 ? 11 G A "O3'" 1
|
| 1639 |
+
ATOM 153 C "C2'" . G A 1 7 ? -36.681 -19.335 16.431 1.00 101.08 ? 11 G A "C2'" 1
|
| 1640 |
+
ATOM 154 O "O2'" . G A 1 7 ? -36.361 -19.341 15.057 1.00 103.11 ? 11 G A "O2'" 1
|
| 1641 |
+
ATOM 155 C "C1'" . G A 1 7 ? -36.386 -20.688 17.089 1.00 100.67 ? 11 G A "C1'" 1
|
| 1642 |
+
ATOM 156 N N9 . G A 1 7 ? -37.379 -21.014 18.074 1.00 94.24 ? 11 G A N9 1
|
| 1643 |
+
ATOM 157 C C8 . G A 1 7 ? -37.565 -20.467 19.323 1.00 101.68 ? 11 G A C8 1
|
| 1644 |
+
ATOM 158 N N7 . G A 1 7 ? -38.660 -20.878 19.925 1.00 96.85 ? 11 G A N7 1
|
| 1645 |
+
ATOM 159 C C5 . G A 1 7 ? -39.249 -21.760 19.026 1.00 94.47 ? 11 G A C5 1
|
| 1646 |
+
ATOM 160 C C6 . G A 1 7 ? -40.457 -22.499 19.122 1.00 103.66 ? 11 G A C6 1
|
| 1647 |
+
ATOM 161 O O6 . G A 1 7 ? -41.270 -22.527 20.061 1.00 113.04 ? 11 G A O6 1
|
| 1648 |
+
ATOM 162 N N1 . G A 1 7 ? -40.695 -23.268 17.981 1.00 104.31 ? 11 G A N1 1
|
| 1649 |
+
ATOM 163 C C2 . G A 1 7 ? -39.874 -23.312 16.885 1.00 109.47 ? 11 G A C2 1
|
| 1650 |
+
ATOM 164 N N2 . G A 1 7 ? -40.250 -24.102 15.884 1.00 101.21 ? 11 G A N2 1
|
| 1651 |
+
ATOM 165 N N3 . G A 1 7 ? -38.750 -22.622 16.780 1.00 106.67 ? 11 G A N3 1
|
| 1652 |
+
ATOM 166 C C4 . G A 1 7 ? -38.482 -21.856 17.881 1.00 96.19 ? 11 G A C4 1
|
| 1653 |
+
ATOM 167 P P . A A 1 8 ? -36.374 -15.943 16.433 1.00 105.67 ? 12 A A P 1
|
| 1654 |
+
ATOM 168 O OP1 . A A 1 8 ? -35.458 -14.810 16.719 1.00 100.74 ? 12 A A OP1 1
|
| 1655 |
+
ATOM 169 O OP2 . A A 1 8 ? -37.604 -16.119 17.249 1.00 107.84 ? 12 A A OP2 1
|
| 1656 |
+
ATOM 170 O "O5'" . A A 1 8 ? -36.820 -15.862 14.906 1.00 89.14 ? 12 A A "O5'" 1
|
| 1657 |
+
ATOM 171 C "C5'" . A A 1 8 ? -35.846 -15.706 13.891 1.00 86.90 ? 12 A A "C5'" 1
|
| 1658 |
+
ATOM 172 C "C4'" . A A 1 8 ? -36.442 -15.988 12.537 1.00 87.68 ? 12 A A "C4'" 1
|
| 1659 |
+
ATOM 173 O "O4'" . A A 1 8 ? -36.920 -17.354 12.451 1.00 91.30 ? 12 A A "O4'" 1
|
| 1660 |
+
ATOM 174 C "C3'" . A A 1 8 ? -37.677 -15.215 12.130 1.00 83.26 ? 12 A A "C3'" 1
|
| 1661 |
+
ATOM 175 O "O3'" . A A 1 8 ? -37.384 -13.875 11.792 1.00 86.10 ? 12 A A "O3'" 1
|
| 1662 |
+
ATOM 176 C "C2'" . A A 1 8 ? -38.090 -16.006 10.904 1.00 88.20 ? 12 A A "C2'" 1
|
| 1663 |
+
ATOM 177 O "O2'" . A A 1 8 ? -37.200 -15.784 9.835 1.00 92.63 ? 12 A A "O2'" 1
|
| 1664 |
+
ATOM 178 C "C1'" . A A 1 8 ? -37.902 -17.431 11.424 1.00 89.94 ? 12 A A "C1'" 1
|
| 1665 |
+
ATOM 179 N N9 . A A 1 8 ? -39.139 -17.955 11.997 1.00 96.90 ? 12 A A N9 1
|
| 1666 |
+
ATOM 180 C C8 . A A 1 8 ? -39.480 -18.092 13.318 1.00 101.09 ? 12 A A C8 1
|
| 1667 |
+
ATOM 181 N N7 . A A 1 8 ? -40.681 -18.579 13.505 1.00 102.06 ? 12 A A N7 1
|
| 1668 |
+
ATOM 182 C C5 . A A 1 8 ? -41.162 -18.781 12.220 1.00 92.68 ? 12 A A C5 1
|
| 1669 |
+
ATOM 183 C C6 . A A 1 8 ? -42.379 -19.275 11.738 1.00 94.80 ? 12 A A C6 1
|
| 1670 |
+
ATOM 184 N N6 . A A 1 8 ? -43.372 -19.676 12.528 1.00 98.48 ? 12 A A N6 1
|
| 1671 |
+
ATOM 185 N N1 . A A 1 8 ? -42.543 -19.345 10.396 1.00 96.47 ? 12 A A N1 1
|
| 1672 |
+
ATOM 186 C C2 . A A 1 8 ? -41.536 -18.944 9.605 1.00 95.47 ? 12 A A C2 1
|
| 1673 |
+
ATOM 187 N N3 . A A 1 8 ? -40.342 -18.462 9.942 1.00 91.74 ? 12 A A N3 1
|
| 1674 |
+
ATOM 188 C C4 . A A 1 8 ? -40.220 -18.404 11.281 1.00 90.69 ? 12 A A C4 1
|
| 1675 |
+
ATOM 189 P P . A A 1 9 ? -38.434 -12.727 12.164 1.00 94.26 ? 13 A A P 1
|
| 1676 |
+
ATOM 190 O OP1 . A A 1 9 ? -37.760 -11.442 11.884 1.00 105.07 ? 13 A A OP1 1
|
| 1677 |
+
ATOM 191 O OP2 . A A 1 9 ? -38.975 -12.995 13.513 1.00 87.63 ? 13 A A OP2 1
|
| 1678 |
+
ATOM 192 O "O5'" . A A 1 9 ? -39.601 -12.907 11.104 1.00 82.84 ? 13 A A "O5'" 1
|
| 1679 |
+
ATOM 193 C "C5'" . A A 1 9 ? -39.323 -12.905 9.710 1.00 93.83 ? 13 A A "C5'" 1
|
| 1680 |
+
ATOM 194 C "C4'" . A A 1 9 ? -40.468 -13.532 8.957 1.00 95.95 ? 13 A A "C4'" 1
|
| 1681 |
+
ATOM 195 O "O4'" . A A 1 9 ? -40.572 -14.933 9.327 1.00 87.66 ? 13 A A "O4'" 1
|
| 1682 |
+
ATOM 196 C "C3'" . A A 1 9 ? -41.845 -12.950 9.258 1.00 94.58 ? 13 A A "C3'" 1
|
| 1683 |
+
ATOM 197 O "O3'" . A A 1 9 ? -42.107 -11.839 8.408 1.00 95.60 ? 13 A A "O3'" 1
|
| 1684 |
+
ATOM 198 C "C2'" . A A 1 9 ? -42.759 -14.113 8.898 1.00 82.28 ? 13 A A "C2'" 1
|
| 1685 |
+
ATOM 199 O "O2'" . A A 1 9 ? -42.988 -14.219 7.513 1.00 99.40 ? 13 A A "O2'" 1
|
| 1686 |
+
ATOM 200 C "C1'" . A A 1 9 ? -41.937 -15.307 9.382 1.00 84.60 ? 13 A A "C1'" 1
|
| 1687 |
+
ATOM 201 N N9 . A A 1 9 ? -42.270 -15.646 10.760 1.00 93.07 ? 13 A A N9 1
|
| 1688 |
+
ATOM 202 C C8 . A A 1 9 ? -41.515 -15.490 11.897 1.00 94.69 ? 13 A A C8 1
|
| 1689 |
+
ATOM 203 N N7 . A A 1 9 ? -42.133 -15.861 12.994 1.00 95.08 ? 13 A A N7 1
|
| 1690 |
+
ATOM 204 C C5 . A A 1 9 ? -43.371 -16.300 12.544 1.00 91.06 ? 13 A A C5 1
|
| 1691 |
+
ATOM 205 C C6 . A A 1 9 ? -44.489 -16.815 13.210 1.00 87.49 ? 13 A A C6 1
|
| 1692 |
+
ATOM 206 N N6 . A A 1 9 ? -44.547 -16.999 14.530 1.00 98.54 ? 13 A A N6 1
|
| 1693 |
+
ATOM 207 N N1 . A A 1 9 ? -45.564 -17.142 12.467 1.00 84.40 ? 13 A A N1 1
|
| 1694 |
+
ATOM 208 C C2 . A A 1 9 ? -45.504 -16.971 11.143 1.00 93.13 ? 13 A A C2 1
|
| 1695 |
+
ATOM 209 N N3 . A A 1 9 ? -44.510 -16.507 10.401 1.00 94.41 ? 13 A A N3 1
|
| 1696 |
+
ATOM 210 C C4 . A A 1 9 ? -43.463 -16.181 11.171 1.00 93.16 ? 13 A A C4 1
|
| 1697 |
+
ATOM 211 P P . A A 1 10 ? -42.712 -10.479 9.019 1.00 108.28 ? 14 A A P 1
|
| 1698 |
+
ATOM 212 O OP1 . A A 1 10 ? -42.830 -9.544 7.874 1.00 114.33 ? 14 A A OP1 1
|
| 1699 |
+
ATOM 213 O OP2 . A A 1 10 ? -41.942 -10.069 10.230 1.00 100.52 ? 14 A A OP2 1
|
| 1700 |
+
ATOM 214 O "O5'" . A A 1 10 ? -44.192 -10.863 9.465 1.00 96.71 ? 14 A A "O5'" 1
|
| 1701 |
+
ATOM 215 C "C5'" . A A 1 10 ? -45.191 -11.150 8.496 1.00 93.35 ? 14 A A "C5'" 1
|
| 1702 |
+
ATOM 216 C "C4'" . A A 1 10 ? -46.365 -11.825 9.152 1.00 90.99 ? 14 A A "C4'" 1
|
| 1703 |
+
ATOM 217 O "O4'" . A A 1 10 ? -45.908 -13.060 9.757 1.00 92.05 ? 14 A A "O4'" 1
|
| 1704 |
+
ATOM 218 C "C3'" . A A 1 10 ? -46.968 -11.065 10.317 1.00 93.02 ? 14 A A "C3'" 1
|
| 1705 |
+
ATOM 219 O "O3'" . A A 1 10 ? -47.884 -10.077 9.867 1.00 91.69 ? 14 A A "O3'" 1
|
| 1706 |
+
ATOM 220 C "C2'" . A A 1 10 ? -47.649 -12.177 11.102 1.00 84.47 ? 14 A A "C2'" 1
|
| 1707 |
+
ATOM 221 O "O2'" . A A 1 10 ? -48.897 -12.558 10.575 1.00 90.43 ? 14 A A "O2'" 1
|
| 1708 |
+
ATOM 222 C "C1'" . A A 1 10 ? -46.649 -13.317 10.933 1.00 86.32 ? 14 A A "C1'" 1
|
| 1709 |
+
ATOM 223 N N9 . A A 1 10 ? -45.716 -13.401 12.049 1.00 84.57 ? 14 A A N9 1
|
| 1710 |
+
ATOM 224 C C8 . A A 1 10 ? -44.380 -13.105 12.070 1.00 87.86 ? 14 A A C8 1
|
| 1711 |
+
ATOM 225 N N7 . A A 1 10 ? -43.821 -13.283 13.244 1.00 92.86 ? 14 A A N7 1
|
| 1712 |
+
ATOM 226 C C5 . A A 1 10 ? -44.863 -13.722 14.045 1.00 85.87 ? 14 A A C5 1
|
| 1713 |
+
ATOM 227 C C6 . A A 1 10 ? -44.928 -14.076 15.394 1.00 93.90 ? 14 A A C6 1
|
| 1714 |
+
ATOM 228 N N6 . A A 1 10 ? -43.880 -14.052 16.220 1.00 104.07 ? 14 A A N6 1
|
| 1715 |
+
ATOM 229 N N1 . A A 1 10 ? -46.123 -14.463 15.881 1.00 90.51 ? 14 A A N1 1
|
| 1716 |
+
ATOM 230 C C2 . A A 1 10 ? -47.172 -14.494 15.059 1.00 87.73 ? 14 A A C2 1
|
| 1717 |
+
ATOM 231 N N3 . A A 1 10 ? -47.236 -14.191 13.771 1.00 92.60 ? 14 A A N3 1
|
| 1718 |
+
ATOM 232 C C4 . A A 1 10 ? -46.033 -13.804 13.320 1.00 85.75 ? 14 A A C4 1
|
| 1719 |
+
ATOM 233 P P . A A 1 11 ? -47.931 -8.649 10.601 1.00 97.01 ? 15 A A P 1
|
| 1720 |
+
ATOM 234 O OP1 . A A 1 11 ? -48.772 -7.750 9.779 1.00 99.02 ? 15 A A OP1 1
|
| 1721 |
+
ATOM 235 O OP2 . A A 1 11 ? -46.537 -8.259 10.928 1.00 100.13 ? 15 A A OP2 1
|
| 1722 |
+
ATOM 236 O "O5'" . A A 1 11 ? -48.701 -8.922 11.967 1.00 89.35 ? 15 A A "O5'" 1
|
| 1723 |
+
ATOM 237 C "C5'" . A A 1 11 ? -50.053 -9.359 11.966 1.00 93.42 ? 15 A A "C5'" 1
|
| 1724 |
+
ATOM 238 C "C4'" . A A 1 11 ? -50.378 -10.020 13.279 1.00 90.61 ? 15 A A "C4'" 1
|
| 1725 |
+
ATOM 239 O "O4'" . A A 1 11 ? -49.425 -11.092 13.499 1.00 90.13 ? 15 A A "O4'" 1
|
| 1726 |
+
ATOM 240 C "C3'" . A A 1 11 ? -50.172 -9.148 14.505 1.00 91.49 ? 15 A A "C3'" 1
|
| 1727 |
+
ATOM 241 O "O3'" . A A 1 11 ? -51.256 -8.258 14.733 1.00 84.34 ? 15 A A "O3'" 1
|
| 1728 |
+
ATOM 242 C "C2'" . A A 1 11 ? -50.033 -10.186 15.608 1.00 87.86 ? 15 A A "C2'" 1
|
| 1729 |
+
ATOM 243 O "O2'" . A A 1 11 ? -51.264 -10.684 16.072 1.00 96.15 ? 15 A A "O2'" 1
|
| 1730 |
+
ATOM 244 C "C1'" . A A 1 11 ? -49.242 -11.281 14.893 1.00 89.47 ? 15 A A "C1'" 1
|
| 1731 |
+
ATOM 245 N N9 . A A 1 11 ? -47.817 -11.178 15.191 1.00 87.49 ? 15 A A N9 1
|
| 1732 |
+
ATOM 246 C C8 . A A 1 11 ? -46.789 -10.806 14.359 1.00 88.90 ? 15 A A C8 1
|
| 1733 |
+
ATOM 247 N N7 . A A 1 11 ? -45.619 -10.770 14.951 1.00 95.42 ? 15 A A N7 1
|
| 1734 |
+
ATOM 248 C C5 . A A 1 11 ? -45.895 -11.145 16.259 1.00 89.03 ? 15 A A C5 1
|
| 1735 |
+
ATOM 249 C C6 . A A 1 11 ? -45.081 -11.285 17.393 1.00 92.31 ? 15 A A C6 1
|
| 1736 |
+
ATOM 250 N N6 . A A 1 11 ? -43.774 -11.037 17.394 1.00 93.79 ? 15 A A N6 1
|
| 1737 |
+
ATOM 251 N N1 . A A 1 11 ? -45.665 -11.690 18.544 1.00 91.97 ? 15 A A N1 1
|
| 1738 |
+
ATOM 252 C C2 . A A 1 11 ? -46.986 -11.932 18.540 1.00 92.05 ? 15 A A C2 1
|
| 1739 |
+
ATOM 253 N N3 . A A 1 11 ? -47.859 -11.829 17.538 1.00 87.65 ? 15 A A N3 1
|
| 1740 |
+
ATOM 254 C C4 . A A 1 11 ? -47.241 -11.421 16.414 1.00 88.24 ? 15 A A C4 1
|
| 1741 |
+
ATOM 255 P P . A A 1 12 ? -50.961 -6.790 15.322 1.00 91.99 ? 16 A A P 1
|
| 1742 |
+
ATOM 256 O OP1 . A A 1 12 ? -52.237 -6.028 15.282 1.00 102.81 ? 16 A A OP1 1
|
| 1743 |
+
ATOM 257 O OP2 . A A 1 12 ? -49.750 -6.252 14.635 1.00 88.14 ? 16 A A OP2 1
|
| 1744 |
+
ATOM 258 O "O5'" . A A 1 12 ? -50.603 -7.033 16.853 1.00 86.02 ? 16 A A "O5'" 1
|
| 1745 |
+
ATOM 259 C "C5'" . A A 1 12 ? -51.528 -7.664 17.722 1.00 92.84 ? 16 A A "C5'" 1
|
| 1746 |
+
ATOM 260 C "C4'" . A A 1 12 ? -50.846 -8.074 19.006 1.00 92.06 ? 16 A A "C4'" 1
|
| 1747 |
+
ATOM 261 O "O4'" . A A 1 12 ? -49.703 -8.913 18.717 1.00 89.05 ? 16 A A "O4'" 1
|
| 1748 |
+
ATOM 262 C "C3'" . A A 1 12 ? -50.225 -6.976 19.850 1.00 83.03 ? 16 A A "C3'" 1
|
| 1749 |
+
ATOM 263 O "O3'" . A A 1 12 ? -51.239 -6.315 20.594 1.00 87.65 ? 16 A A "O3'" 1
|
| 1750 |
+
ATOM 264 C "C2'" . A A 1 12 ? -49.318 -7.786 20.770 1.00 86.52 ? 16 A A "C2'" 1
|
| 1751 |
+
ATOM 265 O "O2'" . A A 1 12 ? -50.021 -8.346 21.864 1.00 83.11 ? 16 A A "O2'" 1
|
| 1752 |
+
ATOM 266 C "C1'" . A A 1 12 ? -48.838 -8.902 19.835 1.00 85.28 ? 16 A A "C1'" 1
|
| 1753 |
+
ATOM 267 N N9 . A A 1 12 ? -47.473 -8.704 19.356 1.00 82.51 ? 16 A A N9 1
|
| 1754 |
+
ATOM 268 C C8 . A A 1 12 ? -47.051 -8.397 18.086 1.00 83.79 ? 16 A A C8 1
|
| 1755 |
+
ATOM 269 N N7 . A A 1 12 ? -45.752 -8.259 17.982 1.00 87.83 ? 16 A A N7 1
|
| 1756 |
+
ATOM 270 C C5 . A A 1 12 ? -45.288 -8.496 19.269 1.00 84.72 ? 16 A A C5 1
|
| 1757 |
+
ATOM 271 C C6 . A A 1 12 ? -43.995 -8.495 19.826 1.00 90.03 ? 16 A A C6 1
|
| 1758 |
+
ATOM 272 N N6 . A A 1 12 ? -42.887 -8.226 19.127 1.00 89.44 ? 16 A A N6 1
|
| 1759 |
+
ATOM 273 N N1 . A A 1 12 ? -43.877 -8.782 21.145 1.00 87.81 ? 16 A A N1 1
|
| 1760 |
+
ATOM 274 C C2 . A A 1 12 ? -44.988 -9.047 21.842 1.00 88.67 ? 16 A A C2 1
|
| 1761 |
+
ATOM 275 N N3 . A A 1 12 ? -46.258 -9.072 21.429 1.00 86.90 ? 16 A A N3 1
|
| 1762 |
+
ATOM 276 C C4 . A A 1 12 ? -46.336 -8.782 20.121 1.00 80.31 ? 16 A A C4 1
|
| 1763 |
+
ATOM 277 P P . G A 1 13 ? -51.000 -4.816 21.128 1.00 98.54 ? 17 G A P 1
|
| 1764 |
+
ATOM 278 O OP1 . G A 1 13 ? -52.297 -4.369 21.694 1.00 94.71 ? 17 G A OP1 1
|
| 1765 |
+
ATOM 279 O OP2 . G A 1 13 ? -50.340 -4.010 20.060 1.00 90.29 ? 17 G A OP2 1
|
| 1766 |
+
ATOM 280 O "O5'" . G A 1 13 ? -49.974 -4.978 22.334 1.00 83.31 ? 17 G A "O5'" 1
|
| 1767 |
+
ATOM 281 C "C5'" . G A 1 13 ? -50.348 -5.686 23.503 1.00 81.75 ? 17 G A "C5'" 1
|
| 1768 |
+
ATOM 282 C "C4'" . G A 1 13 ? -49.154 -5.875 24.405 1.00 84.12 ? 17 G A "C4'" 1
|
| 1769 |
+
ATOM 283 O "O4'" . G A 1 13 ? -48.119 -6.663 23.759 1.00 80.63 ? 17 G A "O4'" 1
|
| 1770 |
+
ATOM 284 C "C3'" . G A 1 13 ? -48.385 -4.622 24.759 1.00 88.02 ? 17 G A "C3'" 1
|
| 1771 |
+
ATOM 285 O "O3'" . G A 1 13 ? -49.086 -3.814 25.690 1.00 94.12 ? 17 G A "O3'" 1
|
| 1772 |
+
ATOM 286 C "C2'" . G A 1 13 ? -47.112 -5.215 25.344 1.00 82.57 ? 17 G A "C2'" 1
|
| 1773 |
+
ATOM 287 O "O2'" . G A 1 13 ? -47.305 -5.658 26.669 1.00 91.63 ? 17 G A "O2'" 1
|
| 1774 |
+
ATOM 288 C "C1'" . G A 1 13 ? -46.878 -6.402 24.401 1.00 76.56 ? 17 G A "C1'" 1
|
| 1775 |
+
ATOM 289 N N9 . G A 1 13 ? -45.872 -6.131 23.377 1.00 76.54 ? 17 G A N9 1
|
| 1776 |
+
ATOM 290 C C8 . G A 1 13 ? -46.081 -5.928 22.029 1.00 78.77 ? 17 G A C8 1
|
| 1777 |
+
ATOM 291 N N7 . G A 1 13 ? -44.969 -5.741 21.361 1.00 75.45 ? 17 G A N7 1
|
| 1778 |
+
ATOM 292 C C5 . G A 1 13 ? -43.970 -5.822 22.328 1.00 74.13 ? 17 G A C5 1
|
| 1779 |
+
ATOM 293 C C6 . G A 1 13 ? -42.552 -5.729 22.200 1.00 72.81 ? 17 G A C6 1
|
| 1780 |
+
ATOM 294 O O6 . G A 1 13 ? -41.879 -5.556 21.177 1.00 70.04 ? 17 G A O6 1
|
| 1781 |
+
ATOM 295 N N1 . G A 1 13 ? -41.916 -5.875 23.424 1.00 68.86 ? 17 G A N1 1
|
| 1782 |
+
ATOM 296 C C2 . G A 1 13 ? -42.559 -6.090 24.625 1.00 72.74 ? 17 G A C2 1
|
| 1783 |
+
ATOM 297 N N2 . G A 1 13 ? -41.760 -6.230 25.710 1.00 72.21 ? 17 G A N2 1
|
| 1784 |
+
ATOM 298 N N3 . G A 1 13 ? -43.881 -6.174 24.757 1.00 66.04 ? 17 G A N3 1
|
| 1785 |
+
ATOM 299 C C4 . G A 1 13 ? -44.513 -6.043 23.577 1.00 70.45 ? 17 G A C4 1
|
| 1786 |
+
ATOM 300 P P . U A 1 14 ? -48.974 -2.215 25.582 1.00 104.61 ? 18 U A P 1
|
| 1787 |
+
ATOM 301 O OP1 . U A 1 14 ? -49.839 -1.655 26.659 1.00 88.29 ? 18 U A OP1 1
|
| 1788 |
+
ATOM 302 O OP2 . U A 1 14 ? -49.228 -1.847 24.160 1.00 86.66 ? 18 U A OP2 1
|
| 1789 |
+
ATOM 303 O "O5'" . U A 1 14 ? -47.448 -1.928 25.942 1.00 74.58 ? 18 U A "O5'" 1
|
| 1790 |
+
ATOM 304 C "C5'" . U A 1 14 ? -46.944 -2.247 27.235 1.00 78.51 ? 18 U A "C5'" 1
|
| 1791 |
+
ATOM 305 C "C4'" . U A 1 14 ? -45.438 -2.115 27.276 1.00 74.05 ? 18 U A "C4'" 1
|
| 1792 |
+
ATOM 306 O "O4'" . U A 1 14 ? -44.784 -3.160 26.504 1.00 84.45 ? 18 U A "O4'" 1
|
| 1793 |
+
ATOM 307 C "C3'" . U A 1 14 ? -44.816 -0.845 26.733 1.00 80.04 ? 18 U A "C3'" 1
|
| 1794 |
+
ATOM 308 O "O3'" . U A 1 14 ? -44.944 0.212 27.668 1.00 86.62 ? 18 U A "O3'" 1
|
| 1795 |
+
ATOM 309 C "C2'" . U A 1 14 ? -43.365 -1.281 26.627 1.00 80.90 ? 18 U A "C2'" 1
|
| 1796 |
+
ATOM 310 O "O2'" . U A 1 14 ? -42.769 -1.325 27.904 1.00 93.06 ? 18 U A "O2'" 1
|
| 1797 |
+
ATOM 311 C "C1'" . U A 1 14 ? -43.518 -2.697 26.056 1.00 69.67 ? 18 U A "C1'" 1
|
| 1798 |
+
ATOM 312 N N1 . U A 1 14 ? -43.532 -2.691 24.587 1.00 60.70 ? 18 U A N1 1
|
| 1799 |
+
ATOM 313 C C2 . U A 1 14 ? -42.319 -2.659 23.931 1.00 69.77 ? 18 U A C2 1
|
| 1800 |
+
ATOM 314 O O2 . U A 1 14 ? -41.252 -2.727 24.514 1.00 76.05 ? 18 U A O2 1
|
| 1801 |
+
ATOM 315 N N3 . U A 1 14 ? -42.396 -2.545 22.557 1.00 61.56 ? 18 U A N3 1
|
| 1802 |
+
ATOM 316 C C4 . U A 1 14 ? -43.543 -2.459 21.802 1.00 70.46 ? 18 U A C4 1
|
| 1803 |
+
ATOM 317 O O4 . U A 1 14 ? -43.486 -2.358 20.571 1.00 81.15 ? 18 U A O4 1
|
| 1804 |
+
ATOM 318 C C5 . U A 1 14 ? -44.762 -2.495 22.574 1.00 69.88 ? 18 U A C5 1
|
| 1805 |
+
ATOM 319 C C6 . U A 1 14 ? -44.727 -2.613 23.916 1.00 68.96 ? 18 U A C6 1
|
| 1806 |
+
ATOM 320 P P . C A 1 15 ? -45.074 1.731 27.153 1.00 98.97 ? 19 C A P 1
|
| 1807 |
+
ATOM 321 O OP1 . C A 1 15 ? -43.779 2.122 26.529 1.00 81.26 ? 19 C A OP1 1
|
| 1808 |
+
ATOM 322 O OP2 . C A 1 15 ? -45.619 2.531 28.284 1.00 100.10 ? 19 C A OP2 1
|
| 1809 |
+
ATOM 323 O "O5'" . C A 1 15 ? -46.187 1.662 26.015 1.00 87.85 ? 19 C A "O5'" 1
|
| 1810 |
+
ATOM 324 C "C5'" . C A 1 15 ? -47.570 1.768 26.336 1.00 90.19 ? 19 C A "C5'" 1
|
| 1811 |
+
ATOM 325 C "C4'" . C A 1 15 ? -48.310 2.424 25.197 1.00 96.24 ? 19 C A "C4'" 1
|
| 1812 |
+
ATOM 326 O "O4'" . C A 1 15 ? -47.728 3.731 24.957 1.00 103.74 ? 19 C A "O4'" 1
|
| 1813 |
+
ATOM 327 C "C3'" . C A 1 15 ? -48.176 1.718 23.861 1.00 88.06 ? 19 C A "C3'" 1
|
| 1814 |
+
ATOM 328 O "O3'" . C A 1 15 ? -48.977 0.549 23.758 1.00 100.85 ? 19 C A "O3'" 1
|
| 1815 |
+
ATOM 329 C "C2'" . C A 1 15 ? -48.435 2.843 22.867 1.00 81.08 ? 19 C A "C2'" 1
|
| 1816 |
+
ATOM 330 O "O2'" . C A 1 15 ? -49.802 3.108 22.654 1.00 96.32 ? 19 C A "O2'" 1
|
| 1817 |
+
ATOM 331 C "C1'" . C A 1 15 ? -47.770 4.028 23.570 1.00 89.26 ? 19 C A "C1'" 1
|
| 1818 |
+
ATOM 332 N N1 . C A 1 15 ? -46.395 4.246 23.102 1.00 86.78 ? 19 C A N1 1
|
| 1819 |
+
ATOM 333 C C2 . C A 1 15 ? -46.208 4.836 21.850 1.00 88.11 ? 19 C A C2 1
|
| 1820 |
+
ATOM 334 O O2 . C A 1 15 ? -47.213 5.213 21.216 1.00 91.29 ? 19 C A O2 1
|
| 1821 |
+
ATOM 335 N N3 . C A 1 15 ? -44.947 4.986 21.365 1.00 81.30 ? 19 C A N3 1
|
| 1822 |
+
ATOM 336 C C4 . C A 1 15 ? -43.904 4.582 22.095 1.00 84.63 ? 19 C A C4 1
|
| 1823 |
+
ATOM 337 N N4 . C A 1 15 ? -42.686 4.724 21.576 1.00 82.61 ? 19 C A N4 1
|
| 1824 |
+
ATOM 338 C C5 . C A 1 15 ? -44.067 4.008 23.393 1.00 87.45 ? 19 C A C5 1
|
| 1825 |
+
ATOM 339 C C6 . C A 1 15 ? -45.319 3.861 23.853 1.00 86.91 ? 19 C A C6 1
|
| 1826 |
+
HETATM 340 SR SR . SR B 2 . ? -51.699 1.475 23.089 1.00 108.18 ? 101 SR A SR 1
|
| 1827 |
+
HETATM 341 SR SR . SR C 2 . ? -40.272 -20.136 23.276 0.50 142.28 ? 102 SR A SR 1
|
| 1828 |
+
HETATM 342 SR SR . SR D 2 . ? -42.735 -7.380 13.600 1.00 154.06 ? 103 SR A SR 1
|
| 1829 |
+
#
|
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