Add files using upload-large-folder tool
Browse files- structures/1r4h.cif +1183 -0
- structures/2byt.cif +0 -0
- structures/2kp3.cif +0 -0
- structures/2krl.cif +0 -0
- structures/2krz.cif +0 -0
- structures/3owz.cif +0 -0
- structures/5bz1.cif +0 -0
- structures/6kl9.cif +0 -0
- structures/6r47.cif +0 -0
- structures/6ues.cif +0 -0
- structures/6ufh.cif +0 -0
- structures/7afo.cif +0 -0
- structures/7sys.cif +0 -0
- structures/7v2m.cif +0 -0
- structures/8ea4.cif +0 -0
- structures/8gxb.cif +0 -0
- structures/8ity.cif +0 -0
- structures/8pzp.cif +0 -0
- structures/8rao.cif +0 -0
- structures/8ud3.cif +0 -0
structures/1r4h.cif
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|
|
|
| 1 |
+
data_1R4H
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1R4H
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.392
|
| 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 1R4H pdb_00001r4h 10.2210/pdb1r4h/pdb
|
| 15 |
+
RCSB RCSB020425 ? ?
|
| 16 |
+
WWPDB D_1000020425 ? ?
|
| 17 |
+
#
|
| 18 |
+
loop_
|
| 19 |
+
_pdbx_audit_revision_history.ordinal
|
| 20 |
+
_pdbx_audit_revision_history.data_content_type
|
| 21 |
+
_pdbx_audit_revision_history.major_revision
|
| 22 |
+
_pdbx_audit_revision_history.minor_revision
|
| 23 |
+
_pdbx_audit_revision_history.revision_date
|
| 24 |
+
1 'Structure model' 1 0 2004-10-19
|
| 25 |
+
2 'Structure model' 1 1 2008-04-29
|
| 26 |
+
3 'Structure model' 1 2 2011-07-13
|
| 27 |
+
4 'Structure model' 1 3 2022-03-02
|
| 28 |
+
5 'Structure model' 1 4 2024-05-22
|
| 29 |
+
#
|
| 30 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 31 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 32 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 33 |
+
_pdbx_audit_revision_details.provider repository
|
| 34 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 35 |
+
_pdbx_audit_revision_details.description ?
|
| 36 |
+
_pdbx_audit_revision_details.details ?
|
| 37 |
+
#
|
| 38 |
+
loop_
|
| 39 |
+
_pdbx_audit_revision_group.ordinal
|
| 40 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 41 |
+
_pdbx_audit_revision_group.data_content_type
|
| 42 |
+
_pdbx_audit_revision_group.group
|
| 43 |
+
1 2 'Structure model' 'Version format compliance'
|
| 44 |
+
2 3 'Structure model' 'Version format compliance'
|
| 45 |
+
3 4 'Structure model' 'Data collection'
|
| 46 |
+
4 4 'Structure model' 'Database references'
|
| 47 |
+
5 4 'Structure model' 'Derived calculations'
|
| 48 |
+
6 5 'Structure model' 'Data collection'
|
| 49 |
+
#
|
| 50 |
+
loop_
|
| 51 |
+
_pdbx_audit_revision_category.ordinal
|
| 52 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 53 |
+
_pdbx_audit_revision_category.data_content_type
|
| 54 |
+
_pdbx_audit_revision_category.category
|
| 55 |
+
1 4 'Structure model' database_2
|
| 56 |
+
2 4 'Structure model' pdbx_nmr_software
|
| 57 |
+
3 4 'Structure model' pdbx_struct_assembly
|
| 58 |
+
4 4 'Structure model' pdbx_struct_oper_list
|
| 59 |
+
5 5 'Structure model' chem_comp_atom
|
| 60 |
+
6 5 'Structure model' chem_comp_bond
|
| 61 |
+
#
|
| 62 |
+
loop_
|
| 63 |
+
_pdbx_audit_revision_item.ordinal
|
| 64 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 65 |
+
_pdbx_audit_revision_item.data_content_type
|
| 66 |
+
_pdbx_audit_revision_item.item
|
| 67 |
+
1 4 'Structure model' '_database_2.pdbx_DOI'
|
| 68 |
+
2 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 69 |
+
3 4 'Structure model' '_pdbx_nmr_software.name'
|
| 70 |
+
#
|
| 71 |
+
_pdbx_database_status.status_code REL
|
| 72 |
+
_pdbx_database_status.entry_id 1R4H
|
| 73 |
+
_pdbx_database_status.recvd_initial_deposition_date 2003-10-06
|
| 74 |
+
_pdbx_database_status.deposit_site RCSB
|
| 75 |
+
_pdbx_database_status.process_site RCSB
|
| 76 |
+
_pdbx_database_status.status_code_sf ?
|
| 77 |
+
_pdbx_database_status.status_code_mr REL
|
| 78 |
+
_pdbx_database_status.SG_entry ?
|
| 79 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 80 |
+
_pdbx_database_status.status_code_cs ?
|
| 81 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 82 |
+
_pdbx_database_status.methods_development_category ?
|
| 83 |
+
#
|
| 84 |
+
loop_
|
| 85 |
+
_audit_author.name
|
| 86 |
+
_audit_author.pdbx_ordinal
|
| 87 |
+
'Kaluarachchi, K.' 1
|
| 88 |
+
'Thiviyanathan, V.' 2
|
| 89 |
+
'Rijinbrand, R.' 3
|
| 90 |
+
'Lemon, S.M.' 4
|
| 91 |
+
'Gorenstein, D.G.' 5
|
| 92 |
+
#
|
| 93 |
+
_citation.id primary
|
| 94 |
+
_citation.title
|
| 95 |
+
'Mutational and structural analysis of stem-loop IIIC of the hepatitis C virus and GB virus B internal ribosome entry sites.'
|
| 96 |
+
_citation.journal_abbrev J.Mol.Biol.
|
| 97 |
+
_citation.journal_volume 343
|
| 98 |
+
_citation.page_first 805
|
| 99 |
+
_citation.page_last 817
|
| 100 |
+
_citation.year 2004
|
| 101 |
+
_citation.journal_id_ASTM JMOBAK
|
| 102 |
+
_citation.country UK
|
| 103 |
+
_citation.journal_id_ISSN 0022-2836
|
| 104 |
+
_citation.journal_id_CSD 0070
|
| 105 |
+
_citation.book_publisher ?
|
| 106 |
+
_citation.pdbx_database_id_PubMed 15476802
|
| 107 |
+
_citation.pdbx_database_id_DOI 10.1016/j.jmb.2004.08.095
|
| 108 |
+
#
|
| 109 |
+
loop_
|
| 110 |
+
_citation_author.citation_id
|
| 111 |
+
_citation_author.name
|
| 112 |
+
_citation_author.ordinal
|
| 113 |
+
_citation_author.identifier_ORCID
|
| 114 |
+
primary 'Rijnbrand, R.' 1 ?
|
| 115 |
+
primary 'Thiviyanathan, V.' 2 ?
|
| 116 |
+
primary 'Kaluarachchi, K.' 3 ?
|
| 117 |
+
primary 'Lemon, S.M.' 4 ?
|
| 118 |
+
primary 'Gorenstein, D.G.' 5 ?
|
| 119 |
+
#
|
| 120 |
+
_entity.id 1
|
| 121 |
+
_entity.type polymer
|
| 122 |
+
_entity.src_method syn
|
| 123 |
+
_entity.pdbx_description "5'-R(*GP*GP*GP*CP*AP*AP*GP*CP*CP*C)-3'"
|
| 124 |
+
_entity.formula_weight 3215.005
|
| 125 |
+
_entity.pdbx_number_of_molecules 1
|
| 126 |
+
_entity.pdbx_ec ?
|
| 127 |
+
_entity.pdbx_mutation ?
|
| 128 |
+
_entity.pdbx_fragment ?
|
| 129 |
+
_entity.details ?
|
| 130 |
+
#
|
| 131 |
+
_entity_poly.entity_id 1
|
| 132 |
+
_entity_poly.type polyribonucleotide
|
| 133 |
+
_entity_poly.nstd_linkage no
|
| 134 |
+
_entity_poly.nstd_monomer no
|
| 135 |
+
_entity_poly.pdbx_seq_one_letter_code GGGCAAGCCC
|
| 136 |
+
_entity_poly.pdbx_seq_one_letter_code_can GGGCAAGCCC
|
| 137 |
+
_entity_poly.pdbx_strand_id A
|
| 138 |
+
_entity_poly.pdbx_target_identifier ?
|
| 139 |
+
#
|
| 140 |
+
loop_
|
| 141 |
+
_entity_poly_seq.entity_id
|
| 142 |
+
_entity_poly_seq.num
|
| 143 |
+
_entity_poly_seq.mon_id
|
| 144 |
+
_entity_poly_seq.hetero
|
| 145 |
+
1 1 G n
|
| 146 |
+
1 2 G n
|
| 147 |
+
1 3 G n
|
| 148 |
+
1 4 C n
|
| 149 |
+
1 5 A n
|
| 150 |
+
1 6 A n
|
| 151 |
+
1 7 G n
|
| 152 |
+
1 8 C n
|
| 153 |
+
1 9 C n
|
| 154 |
+
1 10 C n
|
| 155 |
+
#
|
| 156 |
+
_pdbx_entity_src_syn.entity_id 1
|
| 157 |
+
_pdbx_entity_src_syn.pdbx_src_id 1
|
| 158 |
+
_pdbx_entity_src_syn.pdbx_alt_source_flag sample
|
| 159 |
+
_pdbx_entity_src_syn.pdbx_beg_seq_num ?
|
| 160 |
+
_pdbx_entity_src_syn.pdbx_end_seq_num ?
|
| 161 |
+
_pdbx_entity_src_syn.organism_scientific ?
|
| 162 |
+
_pdbx_entity_src_syn.organism_common_name ?
|
| 163 |
+
_pdbx_entity_src_syn.ncbi_taxonomy_id ?
|
| 164 |
+
_pdbx_entity_src_syn.details
|
| 165 |
+
'The SEQUENCE OCCURS NATURALLY IN GB Virus B AND WAS SYNTHESIZED In vitro trancription using T7 RNA Polymerase.'
|
| 166 |
+
#
|
| 167 |
+
loop_
|
| 168 |
+
_chem_comp.id
|
| 169 |
+
_chem_comp.type
|
| 170 |
+
_chem_comp.mon_nstd_flag
|
| 171 |
+
_chem_comp.name
|
| 172 |
+
_chem_comp.pdbx_synonyms
|
| 173 |
+
_chem_comp.formula
|
| 174 |
+
_chem_comp.formula_weight
|
| 175 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 176 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 177 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 178 |
+
#
|
| 179 |
+
loop_
|
| 180 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 181 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 182 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 183 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 184 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 185 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 186 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 187 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 188 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 189 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 190 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 191 |
+
_pdbx_poly_seq_scheme.hetero
|
| 192 |
+
A 1 1 G 1 1 1 G GUA A . n
|
| 193 |
+
A 1 2 G 2 2 2 G GUA A . n
|
| 194 |
+
A 1 3 G 3 3 3 G GUA A . n
|
| 195 |
+
A 1 4 C 4 4 4 C CYT A . n
|
| 196 |
+
A 1 5 A 5 5 5 A ADE A . n
|
| 197 |
+
A 1 6 A 6 6 6 A ADE A . n
|
| 198 |
+
A 1 7 G 7 7 7 G GUA A . n
|
| 199 |
+
A 1 8 C 8 8 8 C CYT A . n
|
| 200 |
+
A 1 9 C 9 9 9 C CYT A . n
|
| 201 |
+
A 1 10 C 10 10 10 C CYT A . n
|
| 202 |
+
#
|
| 203 |
+
_exptl.entry_id 1R4H
|
| 204 |
+
_exptl.method 'SOLUTION NMR'
|
| 205 |
+
_exptl.crystals_number ?
|
| 206 |
+
#
|
| 207 |
+
_exptl_crystal.id 1
|
| 208 |
+
_exptl_crystal.density_meas ?
|
| 209 |
+
_exptl_crystal.density_Matthews ?
|
| 210 |
+
_exptl_crystal.density_percent_sol ?
|
| 211 |
+
_exptl_crystal.description ?
|
| 212 |
+
#
|
| 213 |
+
_diffrn.id 1
|
| 214 |
+
_diffrn.ambient_temp ?
|
| 215 |
+
_diffrn.ambient_temp_details ?
|
| 216 |
+
_diffrn.crystal_id 1
|
| 217 |
+
#
|
| 218 |
+
_diffrn_radiation.diffrn_id 1
|
| 219 |
+
_diffrn_radiation.wavelength_id 1
|
| 220 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 221 |
+
_diffrn_radiation.monochromator ?
|
| 222 |
+
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
|
| 223 |
+
_diffrn_radiation.pdbx_scattering_type ?
|
| 224 |
+
#
|
| 225 |
+
_diffrn_radiation_wavelength.id 1
|
| 226 |
+
_diffrn_radiation_wavelength.wavelength .
|
| 227 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 228 |
+
#
|
| 229 |
+
_database_PDB_matrix.entry_id 1R4H
|
| 230 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 231 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 232 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 233 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 234 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 235 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 236 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 237 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 238 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 239 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 240 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 241 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 242 |
+
#
|
| 243 |
+
_struct.entry_id 1R4H
|
| 244 |
+
_struct.title 'NMR Solution structure of the IIIc domain of GB Virus B IRES Element'
|
| 245 |
+
_struct.pdbx_model_details ?
|
| 246 |
+
_struct.pdbx_CASP_flag ?
|
| 247 |
+
_struct.pdbx_model_type_details 'minimized average'
|
| 248 |
+
#
|
| 249 |
+
_struct_keywords.entry_id 1R4H
|
| 250 |
+
_struct_keywords.pdbx_keywords RNA
|
| 251 |
+
_struct_keywords.text 'GB Virus B, IRES, HAIRPIN Loop, RNA'
|
| 252 |
+
#
|
| 253 |
+
_struct_asym.id A
|
| 254 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag N
|
| 255 |
+
_struct_asym.pdbx_modified N
|
| 256 |
+
_struct_asym.entity_id 1
|
| 257 |
+
_struct_asym.details ?
|
| 258 |
+
#
|
| 259 |
+
_struct_ref.id 1
|
| 260 |
+
_struct_ref.entity_id 1
|
| 261 |
+
_struct_ref.db_name PDB
|
| 262 |
+
_struct_ref.db_code 1R4H
|
| 263 |
+
_struct_ref.pdbx_db_accession 1R4H
|
| 264 |
+
_struct_ref.pdbx_db_isoform ?
|
| 265 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 266 |
+
_struct_ref.pdbx_align_begin ?
|
| 267 |
+
#
|
| 268 |
+
_struct_ref_seq.align_id 1
|
| 269 |
+
_struct_ref_seq.ref_id 1
|
| 270 |
+
_struct_ref_seq.pdbx_PDB_id_code 1R4H
|
| 271 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 272 |
+
_struct_ref_seq.seq_align_beg 1
|
| 273 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 274 |
+
_struct_ref_seq.seq_align_end 10
|
| 275 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 276 |
+
_struct_ref_seq.pdbx_db_accession 1R4H
|
| 277 |
+
_struct_ref_seq.db_align_beg 1
|
| 278 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 279 |
+
_struct_ref_seq.db_align_end 10
|
| 280 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 281 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 282 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 10
|
| 283 |
+
#
|
| 284 |
+
_pdbx_struct_assembly.id 1
|
| 285 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 286 |
+
_pdbx_struct_assembly.method_details ?
|
| 287 |
+
_pdbx_struct_assembly.oligomeric_details monomeric
|
| 288 |
+
_pdbx_struct_assembly.oligomeric_count 1
|
| 289 |
+
#
|
| 290 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 291 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 292 |
+
_pdbx_struct_assembly_gen.asym_id_list A
|
| 293 |
+
#
|
| 294 |
+
_pdbx_struct_oper_list.id 1
|
| 295 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 296 |
+
_pdbx_struct_oper_list.name 1_555
|
| 297 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 298 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 299 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 300 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 301 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 302 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 303 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 304 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 305 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 306 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 307 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 308 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 309 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 310 |
+
#
|
| 311 |
+
_struct_biol.id 1
|
| 312 |
+
#
|
| 313 |
+
loop_
|
| 314 |
+
_struct_conn.id
|
| 315 |
+
_struct_conn.conn_type_id
|
| 316 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 317 |
+
_struct_conn.pdbx_PDB_id
|
| 318 |
+
_struct_conn.ptnr1_label_asym_id
|
| 319 |
+
_struct_conn.ptnr1_label_comp_id
|
| 320 |
+
_struct_conn.ptnr1_label_seq_id
|
| 321 |
+
_struct_conn.ptnr1_label_atom_id
|
| 322 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 323 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 324 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 325 |
+
_struct_conn.ptnr1_symmetry
|
| 326 |
+
_struct_conn.ptnr2_label_asym_id
|
| 327 |
+
_struct_conn.ptnr2_label_comp_id
|
| 328 |
+
_struct_conn.ptnr2_label_seq_id
|
| 329 |
+
_struct_conn.ptnr2_label_atom_id
|
| 330 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 331 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 332 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 333 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 334 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 335 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 336 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 337 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 338 |
+
_struct_conn.ptnr2_symmetry
|
| 339 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 340 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 341 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 342 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 343 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 344 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 345 |
+
_struct_conn.details
|
| 346 |
+
_struct_conn.pdbx_dist_value
|
| 347 |
+
_struct_conn.pdbx_value_order
|
| 348 |
+
_struct_conn.pdbx_role
|
| 349 |
+
hydrog1 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 9 N3 ? ? A G 2 A C 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 350 |
+
hydrog2 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 9 O2 ? ? A G 2 A C 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 351 |
+
hydrog3 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 9 N4 ? ? A G 2 A C 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 352 |
+
hydrog4 hydrog ? ? A G 3 N1 ? ? ? 1_555 A C 8 N3 ? ? A G 3 A C 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 353 |
+
hydrog5 hydrog ? ? A G 3 N2 ? ? ? 1_555 A C 8 O2 ? ? A G 3 A C 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 354 |
+
hydrog6 hydrog ? ? A G 3 O6 ? ? ? 1_555 A C 8 N4 ? ? A G 3 A C 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 355 |
+
hydrog7 hydrog ? ? A C 4 N3 ? ? ? 1_555 A G 7 N1 ? ? A C 4 A G 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 356 |
+
hydrog8 hydrog ? ? A C 4 N4 ? ? ? 1_555 A G 7 O6 ? ? A C 4 A G 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 357 |
+
hydrog9 hydrog ? ? A C 4 O2 ? ? ? 1_555 A G 7 N2 ? ? A C 4 A G 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 358 |
+
#
|
| 359 |
+
_struct_conn_type.id hydrog
|
| 360 |
+
_struct_conn_type.criteria ?
|
| 361 |
+
_struct_conn_type.reference ?
|
| 362 |
+
#
|
| 363 |
+
loop_
|
| 364 |
+
_pdbx_validate_close_contact.id
|
| 365 |
+
_pdbx_validate_close_contact.PDB_model_num
|
| 366 |
+
_pdbx_validate_close_contact.auth_atom_id_1
|
| 367 |
+
_pdbx_validate_close_contact.auth_asym_id_1
|
| 368 |
+
_pdbx_validate_close_contact.auth_comp_id_1
|
| 369 |
+
_pdbx_validate_close_contact.auth_seq_id_1
|
| 370 |
+
_pdbx_validate_close_contact.PDB_ins_code_1
|
| 371 |
+
_pdbx_validate_close_contact.label_alt_id_1
|
| 372 |
+
_pdbx_validate_close_contact.auth_atom_id_2
|
| 373 |
+
_pdbx_validate_close_contact.auth_asym_id_2
|
| 374 |
+
_pdbx_validate_close_contact.auth_comp_id_2
|
| 375 |
+
_pdbx_validate_close_contact.auth_seq_id_2
|
| 376 |
+
_pdbx_validate_close_contact.PDB_ins_code_2
|
| 377 |
+
_pdbx_validate_close_contact.label_alt_id_2
|
| 378 |
+
_pdbx_validate_close_contact.dist
|
| 379 |
+
1 1 "H1'" A A 5 ? ? "H5'" A A 6 ? ? 1.12
|
| 380 |
+
2 1 H41 A C 4 ? ? O6 A G 7 ? ? 1.40
|
| 381 |
+
#
|
| 382 |
+
loop_
|
| 383 |
+
_pdbx_validate_rmsd_angle.id
|
| 384 |
+
_pdbx_validate_rmsd_angle.PDB_model_num
|
| 385 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1
|
| 386 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1
|
| 387 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1
|
| 388 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1
|
| 389 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1
|
| 390 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1
|
| 391 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2
|
| 392 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2
|
| 393 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2
|
| 394 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2
|
| 395 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2
|
| 396 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2
|
| 397 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3
|
| 398 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3
|
| 399 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3
|
| 400 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3
|
| 401 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3
|
| 402 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3
|
| 403 |
+
_pdbx_validate_rmsd_angle.angle_value
|
| 404 |
+
_pdbx_validate_rmsd_angle.angle_target_value
|
| 405 |
+
_pdbx_validate_rmsd_angle.angle_deviation
|
| 406 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation
|
| 407 |
+
_pdbx_validate_rmsd_angle.linker_flag
|
| 408 |
+
1 1 N7 A G 1 ? ? C8 A G 1 ? ? N9 A G 1 ? ? 117.54 113.10 4.44 0.50 N
|
| 409 |
+
2 1 C8 A G 1 ? ? N9 A G 1 ? ? C4 A G 1 ? ? 103.51 106.40 -2.89 0.40 N
|
| 410 |
+
3 1 N7 A G 2 ? ? C8 A G 2 ? ? N9 A G 2 ? ? 117.61 113.10 4.51 0.50 N
|
| 411 |
+
4 1 C8 A G 2 ? ? N9 A G 2 ? ? C4 A G 2 ? ? 103.48 106.40 -2.92 0.40 N
|
| 412 |
+
5 1 N7 A G 3 ? ? C8 A G 3 ? ? N9 A G 3 ? ? 117.68 113.10 4.58 0.50 N
|
| 413 |
+
6 1 C8 A G 3 ? ? N9 A G 3 ? ? C4 A G 3 ? ? 103.57 106.40 -2.83 0.40 N
|
| 414 |
+
7 1 N7 A A 5 ? ? C8 A A 5 ? ? N9 A A 5 ? ? 117.53 113.80 3.73 0.50 N
|
| 415 |
+
8 1 N7 A A 6 ? ? C8 A A 6 ? ? N9 A A 6 ? ? 117.47 113.80 3.67 0.50 N
|
| 416 |
+
9 1 N7 A G 7 ? ? C8 A G 7 ? ? N9 A G 7 ? ? 117.50 113.10 4.40 0.50 N
|
| 417 |
+
10 1 C8 A G 7 ? ? N9 A G 7 ? ? C4 A G 7 ? ? 103.68 106.40 -2.72 0.40 N
|
| 418 |
+
#
|
| 419 |
+
_pdbx_nmr_ensemble.entry_id 1R4H
|
| 420 |
+
_pdbx_nmr_ensemble.conformers_calculated_total_number 10
|
| 421 |
+
_pdbx_nmr_ensemble.conformers_submitted_total_number 1
|
| 422 |
+
_pdbx_nmr_ensemble.conformer_selection_criteria
|
| 423 |
+
'structures with acceptable covalent geometry,structures with favorable non-bond energy'
|
| 424 |
+
_pdbx_nmr_ensemble.average_constraints_per_residue ?
|
| 425 |
+
_pdbx_nmr_ensemble.average_constraint_violations_per_residue ?
|
| 426 |
+
_pdbx_nmr_ensemble.maximum_distance_constraint_violation ?
|
| 427 |
+
_pdbx_nmr_ensemble.average_distance_constraint_violation ?
|
| 428 |
+
_pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ?
|
| 429 |
+
_pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ?
|
| 430 |
+
_pdbx_nmr_ensemble.distance_constraint_violation_method ?
|
| 431 |
+
_pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ?
|
| 432 |
+
_pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ?
|
| 433 |
+
_pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ?
|
| 434 |
+
#
|
| 435 |
+
_pdbx_nmr_representative.entry_id 1R4H
|
| 436 |
+
_pdbx_nmr_representative.conformer_id 1
|
| 437 |
+
_pdbx_nmr_representative.selection_criteria 'minimized average structure'
|
| 438 |
+
#
|
| 439 |
+
_pdbx_nmr_sample_details.solution_id 1
|
| 440 |
+
_pdbx_nmr_sample_details.contents '10 mM phosphate, 10 mM KCL, 0.05 mM EDTA pH 6.8, 90% H2O, 10% D2O'
|
| 441 |
+
_pdbx_nmr_sample_details.solvent_system '90% H2O/10% D2O'
|
| 442 |
+
#
|
| 443 |
+
_pdbx_nmr_exptl_sample_conditions.conditions_id 1
|
| 444 |
+
_pdbx_nmr_exptl_sample_conditions.temperature 298
|
| 445 |
+
_pdbx_nmr_exptl_sample_conditions.pressure ambient
|
| 446 |
+
_pdbx_nmr_exptl_sample_conditions.pH 6.8
|
| 447 |
+
_pdbx_nmr_exptl_sample_conditions.ionic_strength '10 mM KCl'
|
| 448 |
+
_pdbx_nmr_exptl_sample_conditions.pressure_units ?
|
| 449 |
+
_pdbx_nmr_exptl_sample_conditions.temperature_units K
|
| 450 |
+
#
|
| 451 |
+
loop_
|
| 452 |
+
_pdbx_nmr_exptl.experiment_id
|
| 453 |
+
_pdbx_nmr_exptl.solution_id
|
| 454 |
+
_pdbx_nmr_exptl.conditions_id
|
| 455 |
+
_pdbx_nmr_exptl.type
|
| 456 |
+
1 1 1 '2D NOESY'
|
| 457 |
+
2 1 1 '2D TOCSY'
|
| 458 |
+
3 1 1 DQF-COSY
|
| 459 |
+
#
|
| 460 |
+
_pdbx_nmr_details.entry_id 1R4H
|
| 461 |
+
_pdbx_nmr_details.text 'This structure was determined using standard 2D homonuclear techniques.'
|
| 462 |
+
#
|
| 463 |
+
_pdbx_nmr_refine.entry_id 1R4H
|
| 464 |
+
_pdbx_nmr_refine.method
|
| 465 |
+
'distance geometry simulated annealing restrained molecular dynamics complete relaxation matrix'
|
| 466 |
+
_pdbx_nmr_refine.details ?
|
| 467 |
+
_pdbx_nmr_refine.software_ordinal 1
|
| 468 |
+
#
|
| 469 |
+
loop_
|
| 470 |
+
_pdbx_nmr_software.name
|
| 471 |
+
_pdbx_nmr_software.version
|
| 472 |
+
_pdbx_nmr_software.classification
|
| 473 |
+
_pdbx_nmr_software.authors
|
| 474 |
+
_pdbx_nmr_software.ordinal
|
| 475 |
+
X-PLOR 3.1 refinement 'BRUNGER, A' 1
|
| 476 |
+
Felix 97 'data analysis' BIOSYM 2
|
| 477 |
+
#
|
| 478 |
+
loop_
|
| 479 |
+
_chem_comp_atom.comp_id
|
| 480 |
+
_chem_comp_atom.atom_id
|
| 481 |
+
_chem_comp_atom.type_symbol
|
| 482 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 483 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 484 |
+
_chem_comp_atom.pdbx_ordinal
|
| 485 |
+
A OP3 O N N 1
|
| 486 |
+
A P P N N 2
|
| 487 |
+
A OP1 O N N 3
|
| 488 |
+
A OP2 O N N 4
|
| 489 |
+
A "O5'" O N N 5
|
| 490 |
+
A "C5'" C N N 6
|
| 491 |
+
A "C4'" C N R 7
|
| 492 |
+
A "O4'" O N N 8
|
| 493 |
+
A "C3'" C N S 9
|
| 494 |
+
A "O3'" O N N 10
|
| 495 |
+
A "C2'" C N R 11
|
| 496 |
+
A "O2'" O N N 12
|
| 497 |
+
A "C1'" C N R 13
|
| 498 |
+
A N9 N Y N 14
|
| 499 |
+
A C8 C Y N 15
|
| 500 |
+
A N7 N Y N 16
|
| 501 |
+
A C5 C Y N 17
|
| 502 |
+
A C6 C Y N 18
|
| 503 |
+
A N6 N N N 19
|
| 504 |
+
A N1 N Y N 20
|
| 505 |
+
A C2 C Y N 21
|
| 506 |
+
A N3 N Y N 22
|
| 507 |
+
A C4 C Y N 23
|
| 508 |
+
A HOP3 H N N 24
|
| 509 |
+
A HOP2 H N N 25
|
| 510 |
+
A "H5'" H N N 26
|
| 511 |
+
A "H5''" H N N 27
|
| 512 |
+
A "H4'" H N N 28
|
| 513 |
+
A "H3'" H N N 29
|
| 514 |
+
A "HO3'" H N N 30
|
| 515 |
+
A "H2'" H N N 31
|
| 516 |
+
A "HO2'" H N N 32
|
| 517 |
+
A "H1'" H N N 33
|
| 518 |
+
A H8 H N N 34
|
| 519 |
+
A H61 H N N 35
|
| 520 |
+
A H62 H N N 36
|
| 521 |
+
A H2 H N N 37
|
| 522 |
+
C OP3 O N N 38
|
| 523 |
+
C P P N N 39
|
| 524 |
+
C OP1 O N N 40
|
| 525 |
+
C OP2 O N N 41
|
| 526 |
+
C "O5'" O N N 42
|
| 527 |
+
C "C5'" C N N 43
|
| 528 |
+
C "C4'" C N R 44
|
| 529 |
+
C "O4'" O N N 45
|
| 530 |
+
C "C3'" C N S 46
|
| 531 |
+
C "O3'" O N N 47
|
| 532 |
+
C "C2'" C N R 48
|
| 533 |
+
C "O2'" O N N 49
|
| 534 |
+
C "C1'" C N R 50
|
| 535 |
+
C N1 N N N 51
|
| 536 |
+
C C2 C N N 52
|
| 537 |
+
C O2 O N N 53
|
| 538 |
+
C N3 N N N 54
|
| 539 |
+
C C4 C N N 55
|
| 540 |
+
C N4 N N N 56
|
| 541 |
+
C C5 C N N 57
|
| 542 |
+
C C6 C N N 58
|
| 543 |
+
C HOP3 H N N 59
|
| 544 |
+
C HOP2 H N N 60
|
| 545 |
+
C "H5'" H N N 61
|
| 546 |
+
C "H5''" H N N 62
|
| 547 |
+
C "H4'" H N N 63
|
| 548 |
+
C "H3'" H N N 64
|
| 549 |
+
C "HO3'" H N N 65
|
| 550 |
+
C "H2'" H N N 66
|
| 551 |
+
C "HO2'" H N N 67
|
| 552 |
+
C "H1'" H N N 68
|
| 553 |
+
C H41 H N N 69
|
| 554 |
+
C H42 H N N 70
|
| 555 |
+
C H5 H N N 71
|
| 556 |
+
C H6 H N N 72
|
| 557 |
+
G OP3 O N N 73
|
| 558 |
+
G P P N N 74
|
| 559 |
+
G OP1 O N N 75
|
| 560 |
+
G OP2 O N N 76
|
| 561 |
+
G "O5'" O N N 77
|
| 562 |
+
G "C5'" C N N 78
|
| 563 |
+
G "C4'" C N R 79
|
| 564 |
+
G "O4'" O N N 80
|
| 565 |
+
G "C3'" C N S 81
|
| 566 |
+
G "O3'" O N N 82
|
| 567 |
+
G "C2'" C N R 83
|
| 568 |
+
G "O2'" O N N 84
|
| 569 |
+
G "C1'" C N R 85
|
| 570 |
+
G N9 N Y N 86
|
| 571 |
+
G C8 C Y N 87
|
| 572 |
+
G N7 N Y N 88
|
| 573 |
+
G C5 C Y N 89
|
| 574 |
+
G C6 C N N 90
|
| 575 |
+
G O6 O N N 91
|
| 576 |
+
G N1 N N N 92
|
| 577 |
+
G C2 C N N 93
|
| 578 |
+
G N2 N N N 94
|
| 579 |
+
G N3 N N N 95
|
| 580 |
+
G C4 C Y N 96
|
| 581 |
+
G HOP3 H N N 97
|
| 582 |
+
G HOP2 H N N 98
|
| 583 |
+
G "H5'" H N N 99
|
| 584 |
+
G "H5''" H N N 100
|
| 585 |
+
G "H4'" H N N 101
|
| 586 |
+
G "H3'" H N N 102
|
| 587 |
+
G "HO3'" H N N 103
|
| 588 |
+
G "H2'" H N N 104
|
| 589 |
+
G "HO2'" H N N 105
|
| 590 |
+
G "H1'" H N N 106
|
| 591 |
+
G H8 H N N 107
|
| 592 |
+
G H1 H N N 108
|
| 593 |
+
G H21 H N N 109
|
| 594 |
+
G H22 H N N 110
|
| 595 |
+
#
|
| 596 |
+
loop_
|
| 597 |
+
_chem_comp_bond.comp_id
|
| 598 |
+
_chem_comp_bond.atom_id_1
|
| 599 |
+
_chem_comp_bond.atom_id_2
|
| 600 |
+
_chem_comp_bond.value_order
|
| 601 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 602 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 603 |
+
_chem_comp_bond.pdbx_ordinal
|
| 604 |
+
A OP3 P sing N N 1
|
| 605 |
+
A OP3 HOP3 sing N N 2
|
| 606 |
+
A P OP1 doub N N 3
|
| 607 |
+
A P OP2 sing N N 4
|
| 608 |
+
A P "O5'" sing N N 5
|
| 609 |
+
A OP2 HOP2 sing N N 6
|
| 610 |
+
A "O5'" "C5'" sing N N 7
|
| 611 |
+
A "C5'" "C4'" sing N N 8
|
| 612 |
+
A "C5'" "H5'" sing N N 9
|
| 613 |
+
A "C5'" "H5''" sing N N 10
|
| 614 |
+
A "C4'" "O4'" sing N N 11
|
| 615 |
+
A "C4'" "C3'" sing N N 12
|
| 616 |
+
A "C4'" "H4'" sing N N 13
|
| 617 |
+
A "O4'" "C1'" sing N N 14
|
| 618 |
+
A "C3'" "O3'" sing N N 15
|
| 619 |
+
A "C3'" "C2'" sing N N 16
|
| 620 |
+
A "C3'" "H3'" sing N N 17
|
| 621 |
+
A "O3'" "HO3'" sing N N 18
|
| 622 |
+
A "C2'" "O2'" sing N N 19
|
| 623 |
+
A "C2'" "C1'" sing N N 20
|
| 624 |
+
A "C2'" "H2'" sing N N 21
|
| 625 |
+
A "O2'" "HO2'" sing N N 22
|
| 626 |
+
A "C1'" N9 sing N N 23
|
| 627 |
+
A "C1'" "H1'" sing N N 24
|
| 628 |
+
A N9 C8 sing Y N 25
|
| 629 |
+
A N9 C4 sing Y N 26
|
| 630 |
+
A C8 N7 doub Y N 27
|
| 631 |
+
A C8 H8 sing N N 28
|
| 632 |
+
A N7 C5 sing Y N 29
|
| 633 |
+
A C5 C6 sing Y N 30
|
| 634 |
+
A C5 C4 doub Y N 31
|
| 635 |
+
A C6 N6 sing N N 32
|
| 636 |
+
A C6 N1 doub Y N 33
|
| 637 |
+
A N6 H61 sing N N 34
|
| 638 |
+
A N6 H62 sing N N 35
|
| 639 |
+
A N1 C2 sing Y N 36
|
| 640 |
+
A C2 N3 doub Y N 37
|
| 641 |
+
A C2 H2 sing N N 38
|
| 642 |
+
A N3 C4 sing Y N 39
|
| 643 |
+
C OP3 P sing N N 40
|
| 644 |
+
C OP3 HOP3 sing N N 41
|
| 645 |
+
C P OP1 doub N N 42
|
| 646 |
+
C P OP2 sing N N 43
|
| 647 |
+
C P "O5'" sing N N 44
|
| 648 |
+
C OP2 HOP2 sing N N 45
|
| 649 |
+
C "O5'" "C5'" sing N N 46
|
| 650 |
+
C "C5'" "C4'" sing N N 47
|
| 651 |
+
C "C5'" "H5'" sing N N 48
|
| 652 |
+
C "C5'" "H5''" sing N N 49
|
| 653 |
+
C "C4'" "O4'" sing N N 50
|
| 654 |
+
C "C4'" "C3'" sing N N 51
|
| 655 |
+
C "C4'" "H4'" sing N N 52
|
| 656 |
+
C "O4'" "C1'" sing N N 53
|
| 657 |
+
C "C3'" "O3'" sing N N 54
|
| 658 |
+
C "C3'" "C2'" sing N N 55
|
| 659 |
+
C "C3'" "H3'" sing N N 56
|
| 660 |
+
C "O3'" "HO3'" sing N N 57
|
| 661 |
+
C "C2'" "O2'" sing N N 58
|
| 662 |
+
C "C2'" "C1'" sing N N 59
|
| 663 |
+
C "C2'" "H2'" sing N N 60
|
| 664 |
+
C "O2'" "HO2'" sing N N 61
|
| 665 |
+
C "C1'" N1 sing N N 62
|
| 666 |
+
C "C1'" "H1'" sing N N 63
|
| 667 |
+
C N1 C2 sing N N 64
|
| 668 |
+
C N1 C6 sing N N 65
|
| 669 |
+
C C2 O2 doub N N 66
|
| 670 |
+
C C2 N3 sing N N 67
|
| 671 |
+
C N3 C4 doub N N 68
|
| 672 |
+
C C4 N4 sing N N 69
|
| 673 |
+
C C4 C5 sing N N 70
|
| 674 |
+
C N4 H41 sing N N 71
|
| 675 |
+
C N4 H42 sing N N 72
|
| 676 |
+
C C5 C6 doub N N 73
|
| 677 |
+
C C5 H5 sing N N 74
|
| 678 |
+
C C6 H6 sing N N 75
|
| 679 |
+
G OP3 P sing N N 76
|
| 680 |
+
G OP3 HOP3 sing N N 77
|
| 681 |
+
G P OP1 doub N N 78
|
| 682 |
+
G P OP2 sing N N 79
|
| 683 |
+
G P "O5'" sing N N 80
|
| 684 |
+
G OP2 HOP2 sing N N 81
|
| 685 |
+
G "O5'" "C5'" sing N N 82
|
| 686 |
+
G "C5'" "C4'" sing N N 83
|
| 687 |
+
G "C5'" "H5'" sing N N 84
|
| 688 |
+
G "C5'" "H5''" sing N N 85
|
| 689 |
+
G "C4'" "O4'" sing N N 86
|
| 690 |
+
G "C4'" "C3'" sing N N 87
|
| 691 |
+
G "C4'" "H4'" sing N N 88
|
| 692 |
+
G "O4'" "C1'" sing N N 89
|
| 693 |
+
G "C3'" "O3'" sing N N 90
|
| 694 |
+
G "C3'" "C2'" sing N N 91
|
| 695 |
+
G "C3'" "H3'" sing N N 92
|
| 696 |
+
G "O3'" "HO3'" sing N N 93
|
| 697 |
+
G "C2'" "O2'" sing N N 94
|
| 698 |
+
G "C2'" "C1'" sing N N 95
|
| 699 |
+
G "C2'" "H2'" sing N N 96
|
| 700 |
+
G "O2'" "HO2'" sing N N 97
|
| 701 |
+
G "C1'" N9 sing N N 98
|
| 702 |
+
G "C1'" "H1'" sing N N 99
|
| 703 |
+
G N9 C8 sing Y N 100
|
| 704 |
+
G N9 C4 sing Y N 101
|
| 705 |
+
G C8 N7 doub Y N 102
|
| 706 |
+
G C8 H8 sing N N 103
|
| 707 |
+
G N7 C5 sing Y N 104
|
| 708 |
+
G C5 C6 sing N N 105
|
| 709 |
+
G C5 C4 doub Y N 106
|
| 710 |
+
G C6 O6 doub N N 107
|
| 711 |
+
G C6 N1 sing N N 108
|
| 712 |
+
G N1 C2 sing N N 109
|
| 713 |
+
G N1 H1 sing N N 110
|
| 714 |
+
G C2 N2 sing N N 111
|
| 715 |
+
G C2 N3 doub N N 112
|
| 716 |
+
G N2 H21 sing N N 113
|
| 717 |
+
G N2 H22 sing N N 114
|
| 718 |
+
G N3 C4 sing N N 115
|
| 719 |
+
#
|
| 720 |
+
loop_
|
| 721 |
+
_ndb_struct_conf_na.entry_id
|
| 722 |
+
_ndb_struct_conf_na.feature
|
| 723 |
+
1R4H 'double helix'
|
| 724 |
+
1R4H 'hairpin loop'
|
| 725 |
+
#
|
| 726 |
+
loop_
|
| 727 |
+
_ndb_struct_na_base_pair.model_number
|
| 728 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 729 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 730 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 731 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 732 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 733 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 734 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 735 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 736 |
+
_ndb_struct_na_base_pair.shear
|
| 737 |
+
_ndb_struct_na_base_pair.stretch
|
| 738 |
+
_ndb_struct_na_base_pair.stagger
|
| 739 |
+
_ndb_struct_na_base_pair.buckle
|
| 740 |
+
_ndb_struct_na_base_pair.propeller
|
| 741 |
+
_ndb_struct_na_base_pair.opening
|
| 742 |
+
_ndb_struct_na_base_pair.pair_number
|
| 743 |
+
_ndb_struct_na_base_pair.pair_name
|
| 744 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 745 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 746 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 747 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 748 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 749 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 750 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 751 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 752 |
+
1 A G 2 1_555 A C 9 1_555 -0.271 -0.145 -0.353 40.101 12.405 -6.493 1 A_G2:C9_A A 2 ? A 9 ? 19 1
|
| 753 |
+
1 A G 3 1_555 A C 8 1_555 -0.201 0.278 1.031 46.809 22.121 -9.012 2 A_G3:C8_A A 3 ? A 8 ? 19 1
|
| 754 |
+
1 A C 4 1_555 A G 7 1_555 0.283 -0.552 0.907 55.681 -3.665 -18.422 3 A_C4:G7_A A 4 ? A 7 ? 19 1
|
| 755 |
+
#
|
| 756 |
+
loop_
|
| 757 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 758 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 759 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 760 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 761 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 762 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 763 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 764 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 765 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 766 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 767 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 768 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 769 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 770 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 771 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 772 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 773 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 774 |
+
_ndb_struct_na_base_pair_step.shift
|
| 775 |
+
_ndb_struct_na_base_pair_step.slide
|
| 776 |
+
_ndb_struct_na_base_pair_step.rise
|
| 777 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 778 |
+
_ndb_struct_na_base_pair_step.roll
|
| 779 |
+
_ndb_struct_na_base_pair_step.twist
|
| 780 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 781 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 782 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 783 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 784 |
+
_ndb_struct_na_base_pair_step.tip
|
| 785 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 786 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 787 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 788 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 789 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 790 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 791 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 792 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 793 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 794 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 795 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 796 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 797 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 798 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 799 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 800 |
+
1 A G 2 1_555 A C 9 1_555 A G 3 1_555 A C 8 1_555 0.069 -0.624 3.670 -8.719 22.491 25.381 -4.673 -1.523 2.277 41.216 15.977
|
| 801 |
+
34.878 1 AA_G2G3:C8C9_AA A 2 ? A 9 ? A 3 ? A 8 ?
|
| 802 |
+
1 A G 3 1_555 A C 8 1_555 A C 4 1_555 A G 7 1_555 -0.878 -0.463 3.610 4.144 6.632 22.007 -3.547 3.673 3.123 16.709 -10.441
|
| 803 |
+
23.339 2 AA_G3C4:G7C8_AA A 3 ? A 8 ? A 4 ? A 7 ?
|
| 804 |
+
#
|
| 805 |
+
loop_
|
| 806 |
+
_pdbx_nmr_spectrometer.spectrometer_id
|
| 807 |
+
_pdbx_nmr_spectrometer.type
|
| 808 |
+
_pdbx_nmr_spectrometer.manufacturer
|
| 809 |
+
_pdbx_nmr_spectrometer.model
|
| 810 |
+
_pdbx_nmr_spectrometer.field_strength
|
| 811 |
+
1 ? Varian UNITYPLUS 750
|
| 812 |
+
2 ? Varian UNITYPLUS 600
|
| 813 |
+
#
|
| 814 |
+
_atom_sites.entry_id 1R4H
|
| 815 |
+
_atom_sites.fract_transf_matrix[1][1] 1.000000
|
| 816 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 817 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 818 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 819 |
+
_atom_sites.fract_transf_matrix[2][2] 1.000000
|
| 820 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 821 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 822 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 823 |
+
_atom_sites.fract_transf_matrix[3][3] 1.000000
|
| 824 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 825 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 826 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 827 |
+
#
|
| 828 |
+
loop_
|
| 829 |
+
_atom_type.symbol
|
| 830 |
+
C
|
| 831 |
+
H
|
| 832 |
+
N
|
| 833 |
+
O
|
| 834 |
+
P
|
| 835 |
+
#
|
| 836 |
+
loop_
|
| 837 |
+
_atom_site.group_PDB
|
| 838 |
+
_atom_site.id
|
| 839 |
+
_atom_site.type_symbol
|
| 840 |
+
_atom_site.label_atom_id
|
| 841 |
+
_atom_site.label_alt_id
|
| 842 |
+
_atom_site.label_comp_id
|
| 843 |
+
_atom_site.label_asym_id
|
| 844 |
+
_atom_site.label_entity_id
|
| 845 |
+
_atom_site.label_seq_id
|
| 846 |
+
_atom_site.pdbx_PDB_ins_code
|
| 847 |
+
_atom_site.Cartn_x
|
| 848 |
+
_atom_site.Cartn_y
|
| 849 |
+
_atom_site.Cartn_z
|
| 850 |
+
_atom_site.occupancy
|
| 851 |
+
_atom_site.B_iso_or_equiv
|
| 852 |
+
_atom_site.pdbx_formal_charge
|
| 853 |
+
_atom_site.auth_seq_id
|
| 854 |
+
_atom_site.auth_comp_id
|
| 855 |
+
_atom_site.auth_asym_id
|
| 856 |
+
_atom_site.auth_atom_id
|
| 857 |
+
_atom_site.pdbx_PDB_model_num
|
| 858 |
+
ATOM 1 O "O5'" . G A 1 1 ? -7.527 -6.263 13.857 1.00 0.00 ? 1 G A "O5'" 1
|
| 859 |
+
ATOM 2 C "C5'" . G A 1 1 ? -8.654 -5.503 14.317 1.00 0.00 ? 1 G A "C5'" 1
|
| 860 |
+
ATOM 3 C "C4'" . G A 1 1 ? -8.883 -4.244 13.490 1.00 0.00 ? 1 G A "C4'" 1
|
| 861 |
+
ATOM 4 O "O4'" . G A 1 1 ? -9.090 -3.101 14.330 1.00 0.00 ? 1 G A "O4'" 1
|
| 862 |
+
ATOM 5 C "C3'" . G A 1 1 ? -7.663 -3.910 12.642 1.00 0.00 ? 1 G A "C3'" 1
|
| 863 |
+
ATOM 6 O "O3'" . G A 1 1 ? -7.670 -4.565 11.360 1.00 0.00 ? 1 G A "O3'" 1
|
| 864 |
+
ATOM 7 C "C2'" . G A 1 1 ? -7.791 -2.404 12.475 1.00 0.00 ? 1 G A "C2'" 1
|
| 865 |
+
ATOM 8 O "O2'" . G A 1 1 ? -8.621 -2.068 11.359 1.00 0.00 ? 1 G A "O2'" 1
|
| 866 |
+
ATOM 9 C "C1'" . G A 1 1 ? -8.425 -1.950 13.787 1.00 0.00 ? 1 G A "C1'" 1
|
| 867 |
+
ATOM 10 N N9 . G A 1 1 ? -7.430 -1.391 14.737 1.00 0.00 ? 1 G A N9 1
|
| 868 |
+
ATOM 11 C C8 . G A 1 1 ? -6.105 -1.661 14.892 1.00 0.00 ? 1 G A C8 1
|
| 869 |
+
ATOM 12 N N7 . G A 1 1 ? -5.463 -1.001 15.798 1.00 0.00 ? 1 G A N7 1
|
| 870 |
+
ATOM 13 C C5 . G A 1 1 ? -6.467 -0.183 16.325 1.00 0.00 ? 1 G A C5 1
|
| 871 |
+
ATOM 14 C C6 . G A 1 1 ? -6.402 0.786 17.363 1.00 0.00 ? 1 G A C6 1
|
| 872 |
+
ATOM 15 O O6 . G A 1 1 ? -5.423 1.132 18.026 1.00 0.00 ? 1 G A O6 1
|
| 873 |
+
ATOM 16 N N1 . G A 1 1 ? -7.639 1.381 17.583 1.00 0.00 ? 1 G A N1 1
|
| 874 |
+
ATOM 17 C C2 . G A 1 1 ? -8.797 1.088 16.892 1.00 0.00 ? 1 G A C2 1
|
| 875 |
+
ATOM 18 N N2 . G A 1 1 ? -9.885 1.774 17.245 1.00 0.00 ? 1 G A N2 1
|
| 876 |
+
ATOM 19 N N3 . G A 1 1 ? -8.866 0.179 15.915 1.00 0.00 ? 1 G A N3 1
|
| 877 |
+
ATOM 20 C C4 . G A 1 1 ? -7.673 -0.417 15.682 1.00 0.00 ? 1 G A C4 1
|
| 878 |
+
ATOM 21 H "H5'" . G A 1 1 ? -8.481 -5.183 15.335 1.00 0.00 ? 1 G A "H5'" 1
|
| 879 |
+
ATOM 22 H "H5''" . G A 1 1 ? -9.546 -6.147 14.279 1.00 0.00 ? 1 G A "H5''" 1
|
| 880 |
+
ATOM 23 H "H4'" . G A 1 1 ? -9.753 -4.381 12.848 1.00 0.00 ? 1 G A "H4'" 1
|
| 881 |
+
ATOM 24 H "H3'" . G A 1 1 ? -6.750 -4.151 13.192 1.00 0.00 ? 1 G A "H3'" 1
|
| 882 |
+
ATOM 25 H "H2'" . G A 1 1 ? -6.800 -1.956 12.365 1.00 0.00 ? 1 G A "H2'" 1
|
| 883 |
+
ATOM 26 H "HO2'" . G A 1 1 ? -8.666 -1.110 11.314 1.00 0.00 ? 1 G A "HO2'" 1
|
| 884 |
+
ATOM 27 H "H1'" . G A 1 1 ? -9.172 -1.185 13.566 1.00 0.00 ? 1 G A "H1'" 1
|
| 885 |
+
ATOM 28 H H8 . G A 1 1 ? -5.599 -2.403 14.276 1.00 0.00 ? 1 G A H8 1
|
| 886 |
+
ATOM 29 H H1 . G A 1 1 ? -7.672 2.076 18.314 1.00 0.00 ? 1 G A H1 1
|
| 887 |
+
ATOM 30 H H21 . G A 1 1 ? -9.832 2.463 17.983 1.00 0.00 ? 1 G A H21 1
|
| 888 |
+
ATOM 31 H H22 . G A 1 1 ? -10.763 1.606 16.774 1.00 0.00 ? 1 G A H22 1
|
| 889 |
+
ATOM 32 H "HO5'" . G A 1 1 ? -7.586 -7.133 14.259 1.00 0.00 ? 1 G A "HO5'" 1
|
| 890 |
+
ATOM 33 P P . G A 1 2 ? -8.982 -4.562 10.417 1.00 0.00 ? 2 G A P 1
|
| 891 |
+
ATOM 34 O OP1 . G A 1 2 ? -10.180 -4.456 11.282 1.00 0.00 ? 2 G A OP1 1
|
| 892 |
+
ATOM 35 O OP2 . G A 1 2 ? -8.864 -5.684 9.459 1.00 0.00 ? 2 G A OP2 1
|
| 893 |
+
ATOM 36 O "O5'" . G A 1 2 ? -8.828 -3.182 9.596 1.00 0.00 ? 2 G A "O5'" 1
|
| 894 |
+
ATOM 37 C "C5'" . G A 1 2 ? -9.983 -2.401 9.249 1.00 0.00 ? 2 G A "C5'" 1
|
| 895 |
+
ATOM 38 C "C4'" . G A 1 2 ? -9.615 -1.053 8.640 1.00 0.00 ? 2 G A "C4'" 1
|
| 896 |
+
ATOM 39 O "O4'" . G A 1 2 ? -9.386 -0.065 9.652 1.00 0.00 ? 2 G A "O4'" 1
|
| 897 |
+
ATOM 40 C "C3'" . G A 1 2 ? -8.311 -1.135 7.859 1.00 0.00 ? 2 G A "C3'" 1
|
| 898 |
+
ATOM 41 O "O3'" . G A 1 2 ? -8.558 -1.566 6.514 1.00 0.00 ? 2 G A "O3'" 1
|
| 899 |
+
ATOM 42 C "C2'" . G A 1 2 ? -7.812 0.298 7.929 1.00 0.00 ? 2 G A "C2'" 1
|
| 900 |
+
ATOM 43 O "O2'" . G A 1 2 ? -8.380 1.098 6.885 1.00 0.00 ? 2 G A "O2'" 1
|
| 901 |
+
ATOM 44 C "C1'" . G A 1 2 ? -8.277 0.775 9.300 1.00 0.00 ? 2 G A "C1'" 1
|
| 902 |
+
ATOM 45 N N9 . G A 1 2 ? -7.199 0.700 10.318 1.00 0.00 ? 2 G A N9 1
|
| 903 |
+
ATOM 46 C C8 . G A 1 2 ? -6.283 -0.277 10.557 1.00 0.00 ? 2 G A C8 1
|
| 904 |
+
ATOM 47 N N7 . G A 1 2 ? -5.450 -0.092 11.525 1.00 0.00 ? 2 G A N7 1
|
| 905 |
+
ATOM 48 C C5 . G A 1 2 ? -5.842 1.160 12.007 1.00 0.00 ? 2 G A C5 1
|
| 906 |
+
ATOM 49 C C6 . G A 1 2 ? -5.312 1.927 13.080 1.00 0.00 ? 2 G A C6 1
|
| 907 |
+
ATOM 50 O O6 . G A 1 2 ? -4.380 1.647 13.830 1.00 0.00 ? 2 G A O6 1
|
| 908 |
+
ATOM 51 N N1 . G A 1 2 ? -5.994 3.128 13.233 1.00 0.00 ? 2 G A N1 1
|
| 909 |
+
ATOM 52 C C2 . G A 1 2 ? -7.057 3.544 12.455 1.00 0.00 ? 2 G A C2 1
|
| 910 |
+
ATOM 53 N N2 . G A 1 2 ? -7.586 4.729 12.761 1.00 0.00 ? 2 G A N2 1
|
| 911 |
+
ATOM 54 N N3 . G A 1 2 ? -7.561 2.827 11.444 1.00 0.00 ? 2 G A N3 1
|
| 912 |
+
ATOM 55 C C4 . G A 1 2 ? -6.911 1.652 11.275 1.00 0.00 ? 2 G A C4 1
|
| 913 |
+
ATOM 56 H "H5'" . G A 1 2 ? -10.558 -2.194 10.143 1.00 0.00 ? 2 G A "H5'" 1
|
| 914 |
+
ATOM 57 H "H5''" . G A 1 2 ? -10.596 -2.980 8.542 1.00 0.00 ? 2 G A "H5''" 1
|
| 915 |
+
ATOM 58 H "H4'" . G A 1 2 ? -10.417 -0.717 7.982 1.00 0.00 ? 2 G A "H4'" 1
|
| 916 |
+
ATOM 59 H "H3'" . G A 1 2 ? -7.608 -1.804 8.362 1.00 0.00 ? 2 G A "H3'" 1
|
| 917 |
+
ATOM 60 H "H2'" . G A 1 2 ? -6.723 0.316 7.876 1.00 0.00 ? 2 G A "H2'" 1
|
| 918 |
+
ATOM 61 H "HO2'" . G A 1 2 ? -7.925 1.943 6.894 1.00 0.00 ? 2 G A "HO2'" 1
|
| 919 |
+
ATOM 62 H "H1'" . G A 1 2 ? -8.618 1.805 9.214 1.00 0.00 ? 2 G A "H1'" 1
|
| 920 |
+
ATOM 63 H H8 . G A 1 2 ? -6.259 -1.189 9.962 1.00 0.00 ? 2 G A H8 1
|
| 921 |
+
ATOM 64 H H1 . G A 1 2 ? -5.668 3.730 13.977 1.00 0.00 ? 2 G A H1 1
|
| 922 |
+
ATOM 65 H H21 . G A 1 2 ? -7.206 5.270 13.524 1.00 0.00 ? 2 G A H21 1
|
| 923 |
+
ATOM 66 H H22 . G A 1 2 ? -8.367 5.086 12.229 1.00 0.00 ? 2 G A H22 1
|
| 924 |
+
ATOM 67 P P . G A 1 3 ? -7.426 -2.351 5.677 1.00 0.00 ? 3 G A P 1
|
| 925 |
+
ATOM 68 O OP1 . G A 1 3 ? -8.022 -3.598 5.148 1.00 0.00 ? 3 G A OP1 1
|
| 926 |
+
ATOM 69 O OP2 . G A 1 3 ? -6.197 -2.412 6.500 1.00 0.00 ? 3 G A OP2 1
|
| 927 |
+
ATOM 70 O "O5'" . G A 1 3 ? -7.153 -1.357 4.439 1.00 0.00 ? 3 G A "O5'" 1
|
| 928 |
+
ATOM 71 C "C5'" . G A 1 3 ? -7.957 -0.182 4.251 1.00 0.00 ? 3 G A "C5'" 1
|
| 929 |
+
ATOM 72 C "C4'" . G A 1 3 ? -7.117 1.068 4.028 1.00 0.00 ? 3 G A "C4'" 1
|
| 930 |
+
ATOM 73 O "O4'" . G A 1 3 ? -6.997 1.841 5.228 1.00 0.00 ? 3 G A "O4'" 1
|
| 931 |
+
ATOM 74 C "C3'" . G A 1 3 ? -5.695 0.713 3.624 1.00 0.00 ? 3 G A "C3'" 1
|
| 932 |
+
ATOM 75 O "O3'" . G A 1 3 ? -5.739 0.504 2.206 1.00 0.00 ? 3 G A "O3'" 1
|
| 933 |
+
ATOM 76 C "C2'" . G A 1 3 ? -4.920 1.934 4.089 1.00 0.00 ? 3 G A "C2'" 1
|
| 934 |
+
ATOM 77 O "O2'" . G A 1 3 ? -4.925 2.965 3.096 1.00 0.00 ? 3 G A "O2'" 1
|
| 935 |
+
ATOM 78 C "C1'" . G A 1 3 ? -5.669 2.373 5.342 1.00 0.00 ? 3 G A "C1'" 1
|
| 936 |
+
ATOM 79 N N9 . G A 1 3 ? -5.006 1.912 6.585 1.00 0.00 ? 3 G A N9 1
|
| 937 |
+
ATOM 80 C C8 . G A 1 3 ? -4.877 0.660 7.092 1.00 0.00 ? 3 G A C8 1
|
| 938 |
+
ATOM 81 N N7 . G A 1 3 ? -4.269 0.531 8.223 1.00 0.00 ? 3 G A N7 1
|
| 939 |
+
ATOM 82 C C5 . G A 1 3 ? -3.947 1.856 8.529 1.00 0.00 ? 3 G A C5 1
|
| 940 |
+
ATOM 83 C C6 . G A 1 3 ? -3.268 2.391 9.658 1.00 0.00 ? 3 G A C6 1
|
| 941 |
+
ATOM 84 O O6 . G A 1 3 ? -2.811 1.790 10.627 1.00 0.00 ? 3 G A O6 1
|
| 942 |
+
ATOM 85 N N1 . G A 1 3 ? -3.152 3.774 9.576 1.00 0.00 ? 3 G A N1 1
|
| 943 |
+
ATOM 86 C C2 . G A 1 3 ? -3.630 4.551 8.539 1.00 0.00 ? 3 G A C2 1
|
| 944 |
+
ATOM 87 N N2 . G A 1 3 ? -3.425 5.865 8.639 1.00 0.00 ? 3 G A N2 1
|
| 945 |
+
ATOM 88 N N3 . G A 1 3 ? -4.270 4.055 7.474 1.00 0.00 ? 3 G A N3 1
|
| 946 |
+
ATOM 89 C C4 . G A 1 3 ? -4.394 2.709 7.531 1.00 0.00 ? 3 G A C4 1
|
| 947 |
+
ATOM 90 H "H5'" . G A 1 3 ? -8.553 -0.007 5.136 1.00 0.00 ? 3 G A "H5'" 1
|
| 948 |
+
ATOM 91 H "H5''" . G A 1 3 ? -8.620 -0.350 3.388 1.00 0.00 ? 3 G A "H5''" 1
|
| 949 |
+
ATOM 92 H "H4'" . G A 1 3 ? -7.575 1.681 3.251 1.00 0.00 ? 3 G A "H4'" 1
|
| 950 |
+
ATOM 93 H "H3'" . G A 1 3 ? -5.354 -0.183 4.148 1.00 0.00 ? 3 G A "H3'" 1
|
| 951 |
+
ATOM 94 H "H2'" . G A 1 3 ? -3.898 1.651 4.346 1.00 0.00 ? 3 G A "H2'" 1
|
| 952 |
+
ATOM 95 H "HO2'" . G A 1 3 ? -4.363 3.674 3.417 1.00 0.00 ? 3 G A "HO2'" 1
|
| 953 |
+
ATOM 96 H "H1'" . G A 1 3 ? -5.719 3.458 5.349 1.00 0.00 ? 3 G A "H1'" 1
|
| 954 |
+
ATOM 97 H H8 . G A 1 3 ? -5.290 -0.204 6.574 1.00 0.00 ? 3 G A H8 1
|
| 955 |
+
ATOM 98 H H1 . G A 1 3 ? -2.676 4.226 10.346 1.00 0.00 ? 3 G A H1 1
|
| 956 |
+
ATOM 99 H H21 . G A 1 3 ? -2.942 6.242 9.442 1.00 0.00 ? 3 G A H21 1
|
| 957 |
+
ATOM 100 H H22 . G A 1 3 ? -3.753 6.484 7.911 1.00 0.00 ? 3 G A H22 1
|
| 958 |
+
ATOM 101 P P . C A 1 4 ? -4.559 -0.278 1.440 1.00 0.00 ? 4 C A P 1
|
| 959 |
+
ATOM 102 O OP1 . C A 1 4 ? -5.162 -1.401 0.687 1.00 0.00 ? 4 C A OP1 1
|
| 960 |
+
ATOM 103 O OP2 . C A 1 4 ? -3.468 -0.539 2.405 1.00 0.00 ? 4 C A OP2 1
|
| 961 |
+
ATOM 104 O "O5'" . C A 1 4 ? -4.045 0.823 0.380 1.00 0.00 ? 4 C A "O5'" 1
|
| 962 |
+
ATOM 105 C "C5'" . C A 1 4 ? -4.461 2.192 0.478 1.00 0.00 ? 4 C A "C5'" 1
|
| 963 |
+
ATOM 106 C "C4'" . C A 1 4 ? -3.266 3.134 0.630 1.00 0.00 ? 4 C A "C4'" 1
|
| 964 |
+
ATOM 107 O "O4'" . C A 1 4 ? -3.273 3.823 1.894 1.00 0.00 ? 4 C A "O4'" 1
|
| 965 |
+
ATOM 108 C "C3'" . C A 1 4 ? -1.954 2.364 0.637 1.00 0.00 ? 4 C A "C3'" 1
|
| 966 |
+
ATOM 109 O "O3'" . C A 1 4 ? -1.512 1.929 -0.658 1.00 0.00 ? 4 C A "O3'" 1
|
| 967 |
+
ATOM 110 C "C2'" . C A 1 4 ? -1.066 3.441 1.234 1.00 0.00 ? 4 C A "C2'" 1
|
| 968 |
+
ATOM 111 O "O2'" . C A 1 4 ? -0.765 4.465 0.278 1.00 0.00 ? 4 C A "O2'" 1
|
| 969 |
+
ATOM 112 C "C1'" . C A 1 4 ? -1.922 3.975 2.365 1.00 0.00 ? 4 C A "C1'" 1
|
| 970 |
+
ATOM 113 N N1 . C A 1 4 ? -1.679 3.220 3.616 1.00 0.00 ? 4 C A N1 1
|
| 971 |
+
ATOM 114 C C2 . C A 1 4 ? -1.183 3.922 4.707 1.00 0.00 ? 4 C A C2 1
|
| 972 |
+
ATOM 115 O O2 . C A 1 4 ? -1.075 5.147 4.659 1.00 0.00 ? 4 C A O2 1
|
| 973 |
+
ATOM 116 N N3 . C A 1 4 ? -0.837 3.220 5.822 1.00 0.00 ? 4 C A N3 1
|
| 974 |
+
ATOM 117 C C4 . C A 1 4 ? -0.970 1.888 5.864 1.00 0.00 ? 4 C A C4 1
|
| 975 |
+
ATOM 118 N N4 . C A 1 4 ? -0.610 1.226 6.962 1.00 0.00 ? 4 C A N4 1
|
| 976 |
+
ATOM 119 C C5 . C A 1 4 ? -1.485 1.167 4.747 1.00 0.00 ? 4 C A C5 1
|
| 977 |
+
ATOM 120 C C6 . C A 1 4 ? -1.835 1.866 3.657 1.00 0.00 ? 4 C A C6 1
|
| 978 |
+
ATOM 121 H "H5'" . C A 1 4 ? -5.117 2.307 1.340 1.00 0.00 ? 4 C A "H5'" 1
|
| 979 |
+
ATOM 122 H "H5''" . C A 1 4 ? -5.012 2.459 -0.425 1.00 0.00 ? 4 C A "H5''" 1
|
| 980 |
+
ATOM 123 H "H4'" . C A 1 4 ? -3.264 3.862 -0.180 1.00 0.00 ? 4 C A "H4'" 1
|
| 981 |
+
ATOM 124 H "H3'" . C A 1 4 ? -2.026 1.518 1.331 1.00 0.00 ? 4 C A "H3'" 1
|
| 982 |
+
ATOM 125 H "H2'" . C A 1 4 ? -0.153 3.006 1.640 1.00 0.00 ? 4 C A "H2'" 1
|
| 983 |
+
ATOM 126 H "HO2'" . C A 1 4 ? -0.472 4.029 -0.526 1.00 0.00 ? 4 C A "HO2'" 1
|
| 984 |
+
ATOM 127 H "H1'" . C A 1 4 ? -1.685 5.021 2.517 1.00 0.00 ? 4 C A "H1'" 1
|
| 985 |
+
ATOM 128 H H41 . C A 1 4 ? -0.245 1.727 7.755 1.00 0.00 ? 4 C A H41 1
|
| 986 |
+
ATOM 129 H H42 . C A 1 4 ? -0.702 0.221 6.999 1.00 0.00 ? 4 C A H42 1
|
| 987 |
+
ATOM 130 H H5 . C A 1 4 ? -1.525 0.081 4.748 1.00 0.00 ? 4 C A H5 1
|
| 988 |
+
ATOM 131 H H6 . C A 1 4 ? -2.301 1.351 2.819 1.00 0.00 ? 4 C A H6 1
|
| 989 |
+
ATOM 132 P P . A A 1 5 ? -1.010 0.410 -0.880 1.00 0.00 ? 5 A A P 1
|
| 990 |
+
ATOM 133 O OP1 . A A 1 5 ? 0.030 0.413 -1.933 1.00 0.00 ? 5 A A OP1 1
|
| 991 |
+
ATOM 134 O OP2 . A A 1 5 ? -2.202 -0.456 -1.026 1.00 0.00 ? 5 A A OP2 1
|
| 992 |
+
ATOM 135 O "O5'" . A A 1 5 ? -0.302 0.063 0.531 1.00 0.00 ? 5 A A "O5'" 1
|
| 993 |
+
ATOM 136 C "C5'" . A A 1 5 ? 0.325 -1.208 0.751 1.00 0.00 ? 5 A A "C5'" 1
|
| 994 |
+
ATOM 137 C "C4'" . A A 1 5 ? 1.379 -1.143 1.865 1.00 0.00 ? 5 A A "C4'" 1
|
| 995 |
+
ATOM 138 O "O4'" . A A 1 5 ? 2.461 -0.278 1.512 1.00 0.00 ? 5 A A "O4'" 1
|
| 996 |
+
ATOM 139 C "C3'" . A A 1 5 ? 0.807 -0.566 3.156 1.00 0.00 ? 5 A A "C3'" 1
|
| 997 |
+
ATOM 140 O "O3'" . A A 1 5 ? 1.395 -0.990 4.403 1.00 0.00 ? 5 A A "O3'" 1
|
| 998 |
+
ATOM 141 C "C2'" . A A 1 5 ? 1.050 0.926 3.017 1.00 0.00 ? 5 A A "C2'" 1
|
| 999 |
+
ATOM 142 O "O2'" . A A 1 5 ? 1.243 1.541 4.296 1.00 0.00 ? 5 A A "O2'" 1
|
| 1000 |
+
ATOM 143 C "C1'" . A A 1 5 ? 2.321 0.980 2.191 1.00 0.00 ? 5 A A "C1'" 1
|
| 1001 |
+
ATOM 144 N N9 . A A 1 5 ? 2.260 2.075 1.212 1.00 0.00 ? 5 A A N9 1
|
| 1002 |
+
ATOM 145 C C8 . A A 1 5 ? 1.367 2.282 0.222 1.00 0.00 ? 5 A A C8 1
|
| 1003 |
+
ATOM 146 N N7 . A A 1 5 ? 1.543 3.315 -0.535 1.00 0.00 ? 5 A A N7 1
|
| 1004 |
+
ATOM 147 C C5 . A A 1 5 ? 2.701 3.874 0.022 1.00 0.00 ? 5 A A C5 1
|
| 1005 |
+
ATOM 148 C C6 . A A 1 5 ? 3.456 5.010 -0.295 1.00 0.00 ? 5 A A C6 1
|
| 1006 |
+
ATOM 149 N N6 . A A 1 5 ? 3.153 5.832 -1.300 1.00 0.00 ? 5 A A N6 1
|
| 1007 |
+
ATOM 150 N N1 . A A 1 5 ? 4.537 5.264 0.466 1.00 0.00 ? 5 A A N1 1
|
| 1008 |
+
ATOM 151 C C2 . A A 1 5 ? 4.858 4.453 1.476 1.00 0.00 ? 5 A A C2 1
|
| 1009 |
+
ATOM 152 N N3 . A A 1 5 ? 4.216 3.356 1.859 1.00 0.00 ? 5 A A N3 1
|
| 1010 |
+
ATOM 153 C C4 . A A 1 5 ? 3.140 3.123 1.086 1.00 0.00 ? 5 A A C4 1
|
| 1011 |
+
ATOM 154 H "H5'" . A A 1 5 ? 0.807 -1.530 -0.173 1.00 0.00 ? 5 A A "H5'" 1
|
| 1012 |
+
ATOM 155 H "H5''" . A A 1 5 ? -0.438 -1.938 1.025 1.00 0.00 ? 5 A A "H5''" 1
|
| 1013 |
+
ATOM 156 H "H4'" . A A 1 5 ? 1.769 -2.143 2.055 1.00 0.00 ? 5 A A "H4'" 1
|
| 1014 |
+
ATOM 157 H "H3'" . A A 1 5 ? -0.271 -0.742 3.168 1.00 0.00 ? 5 A A "H3'" 1
|
| 1015 |
+
ATOM 158 H "H2'" . A A 1 5 ? 0.235 1.401 2.483 1.00 0.00 ? 5 A A "H2'" 1
|
| 1016 |
+
ATOM 159 H "HO2'" . A A 1 5 ? 1.425 0.839 4.926 1.00 0.00 ? 5 A A "HO2'" 1
|
| 1017 |
+
ATOM 160 H "H1'" . A A 1 5 ? 3.157 1.139 2.850 1.00 0.00 ? 5 A A "H1'" 1
|
| 1018 |
+
ATOM 161 H H8 . A A 1 5 ? 0.514 1.610 0.088 1.00 0.00 ? 5 A A H8 1
|
| 1019 |
+
ATOM 162 H H61 . A A 1 5 ? 3.733 6.638 -1.485 1.00 0.00 ? 5 A A H61 1
|
| 1020 |
+
ATOM 163 H H62 . A A 1 5 ? 2.345 5.648 -1.876 1.00 0.00 ? 5 A A H62 1
|
| 1021 |
+
ATOM 164 H H2 . A A 1 5 ? 5.739 4.722 2.056 1.00 0.00 ? 5 A A H2 1
|
| 1022 |
+
ATOM 165 P P . A A 1 6 ? 2.957 -1.389 4.529 1.00 0.00 ? 6 A A P 1
|
| 1023 |
+
ATOM 166 O OP1 . A A 1 6 ? 3.428 -1.865 3.209 1.00 0.00 ? 6 A A OP1 1
|
| 1024 |
+
ATOM 167 O OP2 . A A 1 6 ? 3.113 -2.257 5.718 1.00 0.00 ? 6 A A OP2 1
|
| 1025 |
+
ATOM 168 O "O5'" . A A 1 6 ? 3.672 0.025 4.846 1.00 0.00 ? 6 A A "O5'" 1
|
| 1026 |
+
ATOM 169 C "C5'" . A A 1 6 ? 4.683 0.542 3.970 1.00 0.00 ? 6 A A "C5'" 1
|
| 1027 |
+
ATOM 170 C "C4'" . A A 1 6 ? 5.749 1.349 4.716 1.00 0.00 ? 6 A A "C4'" 1
|
| 1028 |
+
ATOM 171 O "O4'" . A A 1 6 ? 5.729 2.733 4.344 1.00 0.00 ? 6 A A "O4'" 1
|
| 1029 |
+
ATOM 172 C "C3'" . A A 1 6 ? 5.543 1.342 6.225 1.00 0.00 ? 6 A A "C3'" 1
|
| 1030 |
+
ATOM 173 O "O3'" . A A 1 6 ? 6.885 1.296 6.738 1.00 0.00 ? 6 A A "O3'" 1
|
| 1031 |
+
ATOM 174 C "C2'" . A A 1 6 ? 4.674 2.560 6.463 1.00 0.00 ? 6 A A "C2'" 1
|
| 1032 |
+
ATOM 175 O "O2'" . A A 1 6 ? 4.903 3.112 7.762 1.00 0.00 ? 6 A A "O2'" 1
|
| 1033 |
+
ATOM 176 C "C1'" . A A 1 6 ? 5.106 3.528 5.368 1.00 0.00 ? 6 A A "C1'" 1
|
| 1034 |
+
ATOM 177 N N9 . A A 1 6 ? 3.931 4.243 4.837 1.00 0.00 ? 6 A A N9 1
|
| 1035 |
+
ATOM 178 C C8 . A A 1 6 ? 2.698 3.762 4.544 1.00 0.00 ? 6 A A C8 1
|
| 1036 |
+
ATOM 179 N N7 . A A 1 6 ? 1.822 4.600 4.098 1.00 0.00 ? 6 A A N7 1
|
| 1037 |
+
ATOM 180 C C5 . A A 1 6 ? 2.551 5.794 4.089 1.00 0.00 ? 6 A A C5 1
|
| 1038 |
+
ATOM 181 C C6 . A A 1 6 ? 2.221 7.104 3.723 1.00 0.00 ? 6 A A C6 1
|
| 1039 |
+
ATOM 182 N N6 . A A 1 6 ? 1.015 7.453 3.274 1.00 0.00 ? 6 A A N6 1
|
| 1040 |
+
ATOM 183 N N1 . A A 1 6 ? 3.180 8.039 3.838 1.00 0.00 ? 6 A A N1 1
|
| 1041 |
+
ATOM 184 C C2 . A A 1 6 ? 4.393 7.711 4.287 1.00 0.00 ? 6 A A C2 1
|
| 1042 |
+
ATOM 185 N N3 . A A 1 6 ? 4.814 6.506 4.661 1.00 0.00 ? 6 A A N3 1
|
| 1043 |
+
ATOM 186 C C4 . A A 1 6 ? 3.836 5.586 4.537 1.00 0.00 ? 6 A A C4 1
|
| 1044 |
+
ATOM 187 H "H5'" . A A 1 6 ? 4.213 1.186 3.229 1.00 0.00 ? 6 A A "H5'" 1
|
| 1045 |
+
ATOM 188 H "H5''" . A A 1 6 ? 5.166 -0.291 3.458 1.00 0.00 ? 6 A A "H5''" 1
|
| 1046 |
+
ATOM 189 H "H4'" . A A 1 6 ? 6.733 0.940 4.487 1.00 0.00 ? 6 A A "H4'" 1
|
| 1047 |
+
ATOM 190 H "H3'" . A A 1 6 ? 4.984 0.451 6.510 1.00 0.00 ? 6 A A "H3'" 1
|
| 1048 |
+
ATOM 191 H "H2'" . A A 1 6 ? 3.621 2.296 6.339 1.00 0.00 ? 6 A A "H2'" 1
|
| 1049 |
+
ATOM 192 H "HO2'" . A A 1 6 ? 5.715 3.622 7.717 1.00 0.00 ? 6 A A "HO2'" 1
|
| 1050 |
+
ATOM 193 H "H1'" . A A 1 6 ? 5.824 4.244 5.768 1.00 0.00 ? 6 A A "H1'" 1
|
| 1051 |
+
ATOM 194 H H8 . A A 1 6 ? 2.456 2.703 4.682 1.00 0.00 ? 6 A A H8 1
|
| 1052 |
+
ATOM 195 H H61 . A A 1 6 ? 0.828 8.413 3.022 1.00 0.00 ? 6 A A H61 1
|
| 1053 |
+
ATOM 196 H H62 . A A 1 6 ? 0.288 6.757 3.185 1.00 0.00 ? 6 A A H62 1
|
| 1054 |
+
ATOM 197 H H2 . A A 1 6 ? 5.120 8.521 4.354 1.00 0.00 ? 6 A A H2 1
|
| 1055 |
+
ATOM 198 P P . G A 1 7 ? 7.229 1.710 8.259 1.00 0.00 ? 7 G A P 1
|
| 1056 |
+
ATOM 199 O OP1 . G A 1 7 ? 8.413 0.934 8.691 1.00 0.00 ? 7 G A OP1 1
|
| 1057 |
+
ATOM 200 O OP2 . G A 1 7 ? 5.982 1.654 9.055 1.00 0.00 ? 7 G A OP2 1
|
| 1058 |
+
ATOM 201 O "O5'" . G A 1 7 ? 7.668 3.254 8.107 1.00 0.00 ? 7 G A "O5'" 1
|
| 1059 |
+
ATOM 202 C "C5'" . G A 1 7 ? 7.928 4.065 9.264 1.00 0.00 ? 7 G A "C5'" 1
|
| 1060 |
+
ATOM 203 C "C4'" . G A 1 7 ? 7.053 5.313 9.300 1.00 0.00 ? 7 G A "C4'" 1
|
| 1061 |
+
ATOM 204 O "O4'" . G A 1 7 ? 5.951 5.194 8.392 1.00 0.00 ? 7 G A "O4'" 1
|
| 1062 |
+
ATOM 205 C "C3'" . G A 1 7 ? 6.422 5.508 10.675 1.00 0.00 ? 7 G A "C3'" 1
|
| 1063 |
+
ATOM 206 O "O3'" . G A 1 7 ? 7.223 6.294 11.570 1.00 0.00 ? 7 G A "O3'" 1
|
| 1064 |
+
ATOM 207 C "C2'" . G A 1 7 ? 5.167 6.288 10.334 1.00 0.00 ? 7 G A "C2'" 1
|
| 1065 |
+
ATOM 208 O "O2'" . G A 1 7 ? 5.431 7.695 10.264 1.00 0.00 ? 7 G A "O2'" 1
|
| 1066 |
+
ATOM 209 C "C1'" . G A 1 7 ? 4.758 5.740 8.975 1.00 0.00 ? 7 G A "C1'" 1
|
| 1067 |
+
ATOM 210 N N9 . G A 1 7 ? 3.695 4.716 9.079 1.00 0.00 ? 7 G A N9 1
|
| 1068 |
+
ATOM 211 C C8 . G A 1 7 ? 3.755 3.425 9.502 1.00 0.00 ? 7 G A C8 1
|
| 1069 |
+
ATOM 212 N N7 . G A 1 7 ? 2.664 2.738 9.474 1.00 0.00 ? 7 G A N7 1
|
| 1070 |
+
ATOM 213 C C5 . G A 1 7 ? 1.751 3.670 8.971 1.00 0.00 ? 7 G A C5 1
|
| 1071 |
+
ATOM 214 C C6 . G A 1 7 ? 0.364 3.532 8.701 1.00 0.00 ? 7 G A C6 1
|
| 1072 |
+
ATOM 215 O O6 . G A 1 7 ? -0.351 2.551 8.880 1.00 0.00 ? 7 G A O6 1
|
| 1073 |
+
ATOM 216 N N1 . G A 1 7 ? -0.178 4.707 8.197 1.00 0.00 ? 7 G A N1 1
|
| 1074 |
+
ATOM 217 C C2 . G A 1 7 ? 0.521 5.877 7.983 1.00 0.00 ? 7 G A C2 1
|
| 1075 |
+
ATOM 218 N N2 . G A 1 7 ? -0.177 6.903 7.498 1.00 0.00 ? 7 G A N2 1
|
| 1076 |
+
ATOM 219 N N3 . G A 1 7 ? 1.824 6.017 8.238 1.00 0.00 ? 7 G A N3 1
|
| 1077 |
+
ATOM 220 C C4 . G A 1 7 ? 2.375 4.882 8.726 1.00 0.00 ? 7 G A C4 1
|
| 1078 |
+
ATOM 221 H "H5'" . G A 1 7 ? 8.955 4.401 9.245 1.00 0.00 ? 7 G A "H5'" 1
|
| 1079 |
+
ATOM 222 H "H5''" . G A 1 7 ? 7.756 3.455 10.164 1.00 0.00 ? 7 G A "H5''" 1
|
| 1080 |
+
ATOM 223 H "H4'" . G A 1 7 ? 7.647 6.189 9.037 1.00 0.00 ? 7 G A "H4'" 1
|
| 1081 |
+
ATOM 224 H "H3'" . G A 1 7 ? 6.162 4.544 11.120 1.00 0.00 ? 7 G A "H3'" 1
|
| 1082 |
+
ATOM 225 H "H2'" . G A 1 7 ? 4.391 6.079 11.068 1.00 0.00 ? 7 G A "H2'" 1
|
| 1083 |
+
ATOM 226 H "HO2'" . G A 1 7 ? 6.072 7.831 9.561 1.00 0.00 ? 7 G A "HO2'" 1
|
| 1084 |
+
ATOM 227 H "H1'" . G A 1 7 ? 4.396 6.562 8.365 1.00 0.00 ? 7 G A "H1'" 1
|
| 1085 |
+
ATOM 228 H H8 . G A 1 7 ? 4.695 2.976 9.827 1.00 0.00 ? 7 G A H8 1
|
| 1086 |
+
ATOM 229 H H1 . G A 1 7 ? -1.161 4.679 7.971 1.00 0.00 ? 7 G A H1 1
|
| 1087 |
+
ATOM 230 H H21 . G A 1 7 ? -1.161 6.793 7.294 1.00 0.00 ? 7 G A H21 1
|
| 1088 |
+
ATOM 231 H H22 . G A 1 7 ? 0.279 7.788 7.326 1.00 0.00 ? 7 G A H22 1
|
| 1089 |
+
ATOM 232 P P . C A 1 8 ? 6.587 6.934 12.909 1.00 0.00 ? 8 C A P 1
|
| 1090 |
+
ATOM 233 O OP1 . C A 1 8 ? 7.514 7.974 13.408 1.00 0.00 ? 8 C A OP1 1
|
| 1091 |
+
ATOM 234 O OP2 . C A 1 8 ? 6.177 5.825 13.800 1.00 0.00 ? 8 C A OP2 1
|
| 1092 |
+
ATOM 235 O "O5'" . C A 1 8 ? 5.252 7.667 12.367 1.00 0.00 ? 8 C A "O5'" 1
|
| 1093 |
+
ATOM 236 C "C5'" . C A 1 8 ? 4.313 8.240 13.287 1.00 0.00 ? 8 C A "C5'" 1
|
| 1094 |
+
ATOM 237 C "C4'" . C A 1 8 ? 3.075 8.806 12.579 1.00 0.00 ? 8 C A "C4'" 1
|
| 1095 |
+
ATOM 238 O "O4'" . C A 1 8 ? 2.652 7.974 11.488 1.00 0.00 ? 8 C A "O4'" 1
|
| 1096 |
+
ATOM 239 C "C3'" . C A 1 8 ? 1.876 8.840 13.520 1.00 0.00 ? 8 C A "C3'" 1
|
| 1097 |
+
ATOM 240 O "O3'" . C A 1 8 ? 1.857 10.053 14.288 1.00 0.00 ? 8 C A "O3'" 1
|
| 1098 |
+
ATOM 241 C "C2'" . C A 1 8 ? 0.705 8.767 12.557 1.00 0.00 ? 8 C A "C2'" 1
|
| 1099 |
+
ATOM 242 O "O2'" . C A 1 8 ? 0.352 10.066 12.067 1.00 0.00 ? 8 C A "O2'" 1
|
| 1100 |
+
ATOM 243 C "C1'" . C A 1 8 ? 1.217 7.874 11.434 1.00 0.00 ? 8 C A "C1'" 1
|
| 1101 |
+
ATOM 244 N N1 . C A 1 8 ? 0.782 6.469 11.598 1.00 0.00 ? 8 C A N1 1
|
| 1102 |
+
ATOM 245 C C2 . C A 1 8 ? -0.565 6.181 11.426 1.00 0.00 ? 8 C A C2 1
|
| 1103 |
+
ATOM 246 O O2 . C A 1 8 ? -1.359 7.078 11.148 1.00 0.00 ? 8 C A O2 1
|
| 1104 |
+
ATOM 247 N N3 . C A 1 8 ? -0.972 4.888 11.570 1.00 0.00 ? 8 C A N3 1
|
| 1105 |
+
ATOM 248 C C4 . C A 1 8 ? -0.093 3.921 11.871 1.00 0.00 ? 8 C A C4 1
|
| 1106 |
+
ATOM 249 N N4 . C A 1 8 ? -0.523 2.666 12.011 1.00 0.00 ? 8 C A N4 1
|
| 1107 |
+
ATOM 250 C C5 . C A 1 8 ? 1.295 4.217 12.045 1.00 0.00 ? 8 C A C5 1
|
| 1108 |
+
ATOM 251 C C6 . C A 1 8 ? 1.686 5.495 11.898 1.00 0.00 ? 8 C A C6 1
|
| 1109 |
+
ATOM 252 H "H5'" . C A 1 8 ? 4.804 9.045 13.837 1.00 0.00 ? 8 C A "H5'" 1
|
| 1110 |
+
ATOM 253 H "H5''" . C A 1 8 ? 3.998 7.472 13.993 1.00 0.00 ? 8 C A "H5''" 1
|
| 1111 |
+
ATOM 254 H "H4'" . C A 1 8 ? 3.286 9.810 12.211 1.00 0.00 ? 8 C A "H4'" 1
|
| 1112 |
+
ATOM 255 H "H3'" . C A 1 8 ? 1.882 7.962 14.173 1.00 0.00 ? 8 C A "H3'" 1
|
| 1113 |
+
ATOM 256 H "H2'" . C A 1 8 ? -0.146 8.298 13.043 1.00 0.00 ? 8 C A "H2'" 1
|
| 1114 |
+
ATOM 257 H "HO2'" . C A 1 8 ? -0.455 9.969 11.557 1.00 0.00 ? 8 C A "HO2'" 1
|
| 1115 |
+
ATOM 258 H "H1'" . C A 1 8 ? 0.852 8.254 10.486 1.00 0.00 ? 8 C A "H1'" 1
|
| 1116 |
+
ATOM 259 H H41 . C A 1 8 ? -1.502 2.452 11.889 1.00 0.00 ? 8 C A H41 1
|
| 1117 |
+
ATOM 260 H H42 . C A 1 8 ? 0.131 1.931 12.239 1.00 0.00 ? 8 C A H42 1
|
| 1118 |
+
ATOM 261 H H5 . C A 1 8 ? 2.013 3.436 12.284 1.00 0.00 ? 8 C A H5 1
|
| 1119 |
+
ATOM 262 H H6 . C A 1 8 ? 2.740 5.751 11.992 1.00 0.00 ? 8 C A H6 1
|
| 1120 |
+
ATOM 263 P P . C A 1 9 ? 0.982 10.165 15.638 1.00 0.00 ? 9 C A P 1
|
| 1121 |
+
ATOM 264 O OP1 . C A 1 9 ? 1.518 11.285 16.444 1.00 0.00 ? 9 C A OP1 1
|
| 1122 |
+
ATOM 265 O OP2 . C A 1 9 ? 0.870 8.815 16.235 1.00 0.00 ? 9 C A OP2 1
|
| 1123 |
+
ATOM 266 O "O5'" . C A 1 9 ? -0.470 10.595 15.083 1.00 0.00 ? 9 C A "O5'" 1
|
| 1124 |
+
ATOM 267 C "C5'" . C A 1 9 ? -1.593 10.695 15.966 1.00 0.00 ? 9 C A "C5'" 1
|
| 1125 |
+
ATOM 268 C "C4'" . C A 1 9 ? -2.917 10.548 15.211 1.00 0.00 ? 9 C A "C4'" 1
|
| 1126 |
+
ATOM 269 O "O4'" . C A 1 9 ? -2.765 9.730 14.047 1.00 0.00 ? 9 C A "O4'" 1
|
| 1127 |
+
ATOM 270 C "C3'" . C A 1 9 ? -3.966 9.830 16.054 1.00 0.00 ? 9 C A "C3'" 1
|
| 1128 |
+
ATOM 271 O "O3'" . C A 1 9 ? -4.668 10.761 16.888 1.00 0.00 ? 9 C A "O3'" 1
|
| 1129 |
+
ATOM 272 C "C2'" . C A 1 9 ? -4.865 9.216 14.994 1.00 0.00 ? 9 C A "C2'" 1
|
| 1130 |
+
ATOM 273 O "O2'" . C A 1 9 ? -5.843 10.154 14.530 1.00 0.00 ? 9 C A "O2'" 1
|
| 1131 |
+
ATOM 274 C "C1'" . C A 1 9 ? -3.882 8.844 13.886 1.00 0.00 ? 9 C A "C1'" 1
|
| 1132 |
+
ATOM 275 N N1 . C A 1 9 ? -3.451 7.433 13.989 1.00 0.00 ? 9 C A N1 1
|
| 1133 |
+
ATOM 276 C C2 . C A 1 9 ? -4.406 6.444 13.797 1.00 0.00 ? 9 C A C2 1
|
| 1134 |
+
ATOM 277 O O2 . C A 1 9 ? -5.578 6.749 13.586 1.00 0.00 ? 9 C A O2 1
|
| 1135 |
+
ATOM 278 N N3 . C A 1 9 ? -4.005 5.143 13.849 1.00 0.00 ? 9 C A N3 1
|
| 1136 |
+
ATOM 279 C C4 . C A 1 9 ? -2.722 4.827 14.076 1.00 0.00 ? 9 C A C4 1
|
| 1137 |
+
ATOM 280 N N4 . C A 1 9 ? -2.363 3.544 14.123 1.00 0.00 ? 9 C A N4 1
|
| 1138 |
+
ATOM 281 C C5 . C A 1 9 ? -1.736 5.848 14.271 1.00 0.00 ? 9 C A C5 1
|
| 1139 |
+
ATOM 282 C C6 . C A 1 9 ? -2.145 7.125 14.226 1.00 0.00 ? 9 C A C6 1
|
| 1140 |
+
ATOM 283 H "H5'" . C A 1 9 ? -1.571 11.667 16.461 1.00 0.00 ? 9 C A "H5'" 1
|
| 1141 |
+
ATOM 284 H "H5''" . C A 1 9 ? -1.523 9.911 16.721 1.00 0.00 ? 9 C A "H5''" 1
|
| 1142 |
+
ATOM 285 H "H4'" . C A 1 9 ? -3.285 11.530 14.918 1.00 0.00 ? 9 C A "H4'" 1
|
| 1143 |
+
ATOM 286 H "H3'" . C A 1 9 ? -3.499 9.041 16.651 1.00 0.00 ? 9 C A "H3'" 1
|
| 1144 |
+
ATOM 287 H "H2'" . C A 1 9 ? -5.346 8.317 15.387 1.00 0.00 ? 9 C A "H2'" 1
|
| 1145 |
+
ATOM 288 H "HO2'" . C A 1 9 ? -6.661 9.670 14.394 1.00 0.00 ? 9 C A "HO2'" 1
|
| 1146 |
+
ATOM 289 H "H1'" . C A 1 9 ? -4.342 9.014 12.913 1.00 0.00 ? 9 C A "H1'" 1
|
| 1147 |
+
ATOM 290 H H41 . C A 1 9 ? -3.055 2.821 13.985 1.00 0.00 ? 9 C A H41 1
|
| 1148 |
+
ATOM 291 H H42 . C A 1 9 ? -1.400 3.295 14.295 1.00 0.00 ? 9 C A H42 1
|
| 1149 |
+
ATOM 292 H H5 . C A 1 9 ? -0.682 5.602 14.405 1.00 0.00 ? 9 C A H5 1
|
| 1150 |
+
ATOM 293 H H6 . C A 1 9 ? -1.429 7.923 14.405 1.00 0.00 ? 9 C A H6 1
|
| 1151 |
+
ATOM 294 P P . C A 1 10 ? -5.010 10.398 18.421 1.00 0.00 ? 10 C A P 1
|
| 1152 |
+
ATOM 295 O OP1 . C A 1 10 ? -5.250 11.662 19.153 1.00 0.00 ? 10 C A OP1 1
|
| 1153 |
+
ATOM 296 O OP2 . C A 1 10 ? -3.990 9.444 18.912 1.00 0.00 ? 10 C A OP2 1
|
| 1154 |
+
ATOM 297 O "O5'" . C A 1 10 ? -6.412 9.614 18.293 1.00 0.00 ? 10 C A "O5'" 1
|
| 1155 |
+
ATOM 298 C "C5'" . C A 1 10 ? -7.522 10.206 17.607 1.00 0.00 ? 10 C A "C5'" 1
|
| 1156 |
+
ATOM 299 C "C4'" . C A 1 10 ? -8.693 9.232 17.487 1.00 0.00 ? 10 C A "C4'" 1
|
| 1157 |
+
ATOM 300 O "O4'" . C A 1 10 ? -8.336 8.075 16.721 1.00 0.00 ? 10 C A "O4'" 1
|
| 1158 |
+
ATOM 301 C "C3'" . C A 1 10 ? -9.105 8.690 18.850 1.00 0.00 ? 10 C A "C3'" 1
|
| 1159 |
+
ATOM 302 O "O3'" . C A 1 10 ? -10.046 9.556 19.497 1.00 0.00 ? 10 C A "O3'" 1
|
| 1160 |
+
ATOM 303 C "C2'" . C A 1 10 ? -9.732 7.355 18.488 1.00 0.00 ? 10 C A "C2'" 1
|
| 1161 |
+
ATOM 304 O "O2'" . C A 1 10 ? -11.113 7.507 18.137 1.00 0.00 ? 10 C A "O2'" 1
|
| 1162 |
+
ATOM 305 C "C1'" . C A 1 10 ? -8.905 6.886 17.292 1.00 0.00 ? 10 C A "C1'" 1
|
| 1163 |
+
ATOM 306 N N1 . C A 1 10 ? -7.849 5.929 17.699 1.00 0.00 ? 10 C A N1 1
|
| 1164 |
+
ATOM 307 C C2 . C A 1 10 ? -8.195 4.943 18.614 1.00 0.00 ? 10 C A C2 1
|
| 1165 |
+
ATOM 308 O O2 . C A 1 10 ? -9.339 4.888 19.062 1.00 0.00 ? 10 C A O2 1
|
| 1166 |
+
ATOM 309 N N3 . C A 1 10 ? -7.243 4.045 18.988 1.00 0.00 ? 10 C A N3 1
|
| 1167 |
+
ATOM 310 C C4 . C A 1 10 ? -6.004 4.104 18.487 1.00 0.00 ? 10 C A C4 1
|
| 1168 |
+
ATOM 311 N N4 . C A 1 10 ? -5.113 3.182 18.854 1.00 0.00 ? 10 C A N4 1
|
| 1169 |
+
ATOM 312 C C5 . C A 1 10 ? -5.638 5.118 17.544 1.00 0.00 ? 10 C A C5 1
|
| 1170 |
+
ATOM 313 C C6 . C A 1 10 ? -6.586 6.006 17.180 1.00 0.00 ? 10 C A C6 1
|
| 1171 |
+
ATOM 314 H "H5'" . C A 1 10 ? -7.204 10.503 16.607 1.00 0.00 ? 10 C A "H5'" 1
|
| 1172 |
+
ATOM 315 H "H5''" . C A 1 10 ? -7.848 11.092 18.154 1.00 0.00 ? 10 C A "H5''" 1
|
| 1173 |
+
ATOM 316 H "H4'" . C A 1 10 ? -9.541 9.731 17.016 1.00 0.00 ? 10 C A "H4'" 1
|
| 1174 |
+
ATOM 317 H "H3'" . C A 1 10 ? -8.222 8.534 19.476 1.00 0.00 ? 10 C A "H3'" 1
|
| 1175 |
+
ATOM 318 H "HO3'" . C A 1 10 ? -10.835 9.582 18.949 1.00 0.00 ? 10 C A "HO3'" 1
|
| 1176 |
+
ATOM 319 H "H2'" . C A 1 10 ? -9.621 6.654 19.319 1.00 0.00 ? 10 C A "H2'" 1
|
| 1177 |
+
ATOM 320 H "HO2'" . C A 1 10 ? -11.509 6.632 18.151 1.00 0.00 ? 10 C A "HO2'" 1
|
| 1178 |
+
ATOM 321 H "H1'" . C A 1 10 ? -9.563 6.414 16.560 1.00 0.00 ? 10 C A "H1'" 1
|
| 1179 |
+
ATOM 322 H H41 . C A 1 10 ? -5.371 2.469 19.521 1.00 0.00 ? 10 C A H41 1
|
| 1180 |
+
ATOM 323 H H42 . C A 1 10 ? -4.187 3.185 18.454 1.00 0.00 ? 10 C A H42 1
|
| 1181 |
+
ATOM 324 H H5 . C A 1 10 ? -4.629 5.170 17.136 1.00 0.00 ? 10 C A H5 1
|
| 1182 |
+
ATOM 325 H H6 . C A 1 10 ? -6.340 6.795 16.464 1.00 0.00 ? 10 C A H6 1
|
| 1183 |
+
#
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