data_2IRT

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  2IRT
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    2IRT
_pdbx_vrpt_summary.PDB_deposition_date         1994-07-13
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2024-02-21
_pdbx_vrpt_summary.report_creation_date        2024-02-10:13:02
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "INTERLEUKIN-1 RECEPTOR ANTAGONIST"
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  3.2  x-ray  
#
_pdbx_vrpt_percentile_type.id    1
_pdbx_vrpt_percentile_type.type  all_atom_clashscore
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1   99.96  141614     ?     ?  
2  2  1  100.00    1253  3.20  3.20  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
1  1  1  A  A  
2  1  1  B  B  
#
_pdbx_vrpt_summary_geometry.ordinal       1
_pdbx_vrpt_summary_geometry.clashscore    0.00
_pdbx_vrpt_summary_geometry.num_H_reduce  0
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            72.521
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         36.195
_pdbx_vrpt_summary_diffraction.I_over_sigma              54.64(3.22A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        5327
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.151
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.494
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.328
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.364
_pdbx_vrpt_summary_diffraction.DCC_R                     0.52
_pdbx_vrpt_summary_diffraction.EDS_R                     0.54
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.20
_pdbx_vrpt_summary_diffraction.EDS_res_low               19.77
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[35.876,35.876,36.862,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.027
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.60% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         98.87
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      0
_pdbx_vrpt_summary_diffraction.percent_free_reflections  0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.20
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        20.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.44
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
  1  1  1  A    8  SER  A    8  .  ?     
  2  1  1  A    9  LYS  A    9  .  ?     
  3  1  1  A   10  MET  A   10  .  ?     
  4  1  1  A   11  GLN  A   11  .  ?     
  5  1  1  A   12  ALA  A   12  .  ?     
  6  1  1  A   13  PHE  A   13  .  ?     
  7  1  1  A   14  ARG  A   14  .  ?     
  8  1  1  A   15  ILE  A   15  .  ?     
  9  1  1  A   16  TRP  A   16  .  ?     
 10  1  1  A   17  ASP  A   17  .  ?     
 11  1  1  A   18  VAL  A   18  .  ?     
 12  1  1  A   19  ASN  A   19  .  ?     
 13  1  1  A   20  GLN  A   20  .  ?     
 14  1  1  A   21  LYS  A   21  .  ?     
 15  1  1  A   22  THR  A   22  .  ?     
 16  1  1  A   23  PHE  A   23  .  ?     
 17  1  1  A   24  TYR  A   24  .  ?     
 18  1  1  A   25  LEU  A   25  .  ?     
 19  1  1  A   26  ARG  A   26  .  ?     
 20  1  1  A   27  ASN  A   27  .  ?     
 21  1  1  A   28  ASN  A   28  .  ?     
 22  1  1  A   29  GLN  A   29  .  ?     
 23  1  1  A   30  LEU  A   30  .  ?     
 24  1  1  A   31  VAL  A   31  .  ?     
 25  1  1  A   32  ALA  A   32  .  ?     
 26  1  1  A   33  GLY  A   33  .  ?     
 27  1  1  A   34  TYR  A   34  .  ?     
 28  1  1  A   35  LEU  A   35  .  ?     
 29  1  1  A   36  GLN  A   36  .  ?     
 30  1  1  A   37  GLY  A   37  .  ?     
 31  1  1  A   38  PRO  A   38  .  ?     
 32  1  1  A   39  ASN  A   39  .  ?     
 33  1  1  A   40  VAL  A   40  .  ?     
 34  1  1  A   41  ASN  A   41  .  ?     
 35  1  1  A   42  LEU  A   42  .  ?     
 36  1  1  A   43  GLU  A   43  .  ?     
 37  1  1  A   44  GLU  A   44  .  ?     
 38  1  1  A   45  LYS  A   45  .  ?     
 39  1  1  A   46  ILE  A   46  .  ?     
 40  1  1  A   47  ASP  A   47  .  ?     
 41  1  1  A   48  VAL  A   48  .  ?     
 42  1  1  A   49  VAL  A   49  .  ?     
 43  1  1  A   50  PRO  A   50  .  ?     
 44  1  1  A   51  ILE  A   51  .  ?     
 45  1  1  A   52  GLU  A   52  .  ?     
 46  1  1  A   53  PRO  A   53  .  ?     
 47  1  1  A   54  HIS  A   54  .  ?     
 48  1  1  A   55  ALA  A   55  .  ?     
 49  1  1  A   56  LEU  A   56  .  ?     
 50  1  1  A   57  PHE  A   57  .  ?     
 51  1  1  A   58  LEU  A   58  .  ?     
 52  1  1  A   59  GLY  A   59  .  ?     
 53  1  1  A   60  ILE  A   60  .  ?     
 54  1  1  A   61  HIS  A   61  .  ?     
 55  1  1  A   62  GLY  A   62  .  ?     
 56  1  1  A   63  GLY  A   63  .  ?     
 57  1  1  A   64  LYS  A   64  .  ?     
 58  1  1  A   65  MET  A   65  .  ?     
 59  1  1  A   66  CYS  A   66  .  ?     
 60  1  1  A   67  LEU  A   67  .  ?     
 61  1  1  A   68  SER  A   68  .  ?     
 62  1  1  A   69  CYS  A   69  .  ?     
 63  1  1  A   70  VAL  A   70  .  ?     
 64  1  1  A   71  LYS  A   71  .  ?     
 65  1  1  A   72  SER  A   72  .  ?     
 66  1  1  A   73  GLY  A   73  .  ?     
 67  1  1  A   74  ASP  A   74  .  ?     
 68  1  1  A   75  GLU  A   75  .  ?     
 69  1  1  A   76  THR  A   76  .  ?     
 70  1  1  A   77  ARG  A   77  .  ?     
 71  1  1  A   78  LEU  A   78  .  ?     
 72  1  1  A   79  GLN  A   79  .  ?     
 73  1  1  A   80  LEU  A   80  .  ?     
 74  1  1  A   81  GLU  A   81  .  ?     
 75  1  1  A   82  ALA  A   82  .  ?     
 76  1  1  A   83  VAL  A   83  .  ?     
 77  1  1  A   84  ASN  A   84  .  ?     
 78  1  1  A   85  ILE  A   85  .  ?     
 79  1  1  A   86  THR  A   86  .  ?     
 80  1  1  A   87  ASP  A   87  .  ?     
 81  1  1  A   88  LEU  A   88  .  ?     
 82  1  1  A   89  SER  A   89  .  ?     
 83  1  1  A   90  GLU  A   90  .  ?     
 84  1  1  A   91  ASN  A   91  .  ?     
 85  1  1  A   92  ARG  A   92  .  ?     
 86  1  1  A   93  LYS  A   93  .  ?     
 87  1  1  A   94  GLN  A   94  .  ?     
 88  1  1  A   95  ASP  A   95  .  ?     
 89  1  1  A   96  LYS  A   96  .  ?     
 90  1  1  A   97  ARG  A   97  .  ?     
 91  1  1  A   98  PHE  A   98  .  ?     
 92  1  1  A   99  ALA  A   99  .  ?     
 93  1  1  A  100  PHE  A  100  .  ?     
 94  1  1  A  101  ILE  A  101  .  ?     
 95  1  1  A  102  ARG  A  102  .  ?     
 96  1  1  A  103  SER  A  103  .  ?     
 97  1  1  A  104  ASP  A  104  .  ?     
 98  1  1  A  105  SER  A  105  .  ?     
 99  1  1  A  106  GLY  A  106  .  ?     
100  1  1  A  107  PRO  A  107  .  ?     
101  1  1  A  108  THR  A  108  .  ?     
102  1  1  A  109  THR  A  109  .  ?     
103  1  1  A  110  SER  A  110  .  ?     
104  1  1  A  111  PHE  A  111  .  ?     
105  1  1  A  112  GLU  A  112  .  ?     
106  1  1  A  113  SER  A  113  .  ?     
107  1  1  A  114  ALA  A  114  .  ?     
108  1  1  A  115  ALA  A  115  .  ?     
109  1  1  A  116  CYS  A  116  .  ?     
110  1  1  A  117  PRO  A  117  .  ?     
111  1  1  A  118  GLY  A  118  .  ?     
112  1  1  A  119  TRP  A  119  .  ?     
113  1  1  A  120  PHE  A  120  .  ?     
114  1  1  A  121  LEU  A  121  .  ?     
115  1  1  A  122  CYS  A  122  .  ?     
116  1  1  A  123  THR  A  123  .  ?     
117  1  1  A  124  ALA  A  124  .  ?     
118  1  1  A  125  MET  A  125  .  ?     
119  1  1  A  126  GLU  A  126  .  ?     
120  1  1  A  127  ALA  A  127  .  ?     
121  1  1  A  128  ASP  A  128  .  ?     
122  1  1  A  129  GLN  A  129  .  ?     
123  1  1  A  130  PRO  A  130  .  ?     
124  1  1  A  131  VAL  A  131  .  ?     
125  1  1  A  132  SER  A  132  .  ?     
126  1  1  A  133  LEU  A  133  .  ?     
127  1  1  A  134  THR  A  134  .  ?     
128  1  1  A  135  ASN  A  135  .  ?     
129  1  1  A  136  MET  A  136  .  ?     
130  1  1  A  137  PRO  A  137  .  ?     
131  1  1  A  138  ASP  A  138  .  ?     
132  1  1  A  139  GLU  A  139  .  ?     
133  1  1  A  140  GLY  A  140  .  ?     
134  1  1  A  141  VAL  A  141  .  ?     
135  1  1  A  142  MET  A  142  .  ?     
136  1  1  A  143  VAL  A  143  .  ?     
137  1  1  A  144  THR  A  144  .  ?     
138  1  1  A  145  LYS  A  145  .  ?     
139  1  1  A  146  PHE  A  146  .  ?     
140  1  1  A  147  TYR  A  147  .  ?     
141  1  1  A  148  PHE  A  148  .  ?     
142  1  1  A  149  GLN  A  149  .  ?     
143  1  1  A  150  GLU  A  150  .  ?     
144  1  1  A  151  ASP  A  151  .  ?     
145  1  1  A  152  GLU  A  152  .  ?     
146  1  1  B    8  SER  B    8  .  ?     
147  1  1  B    9  LYS  B    9  .  ?     
148  1  1  B   10  MET  B   10  .  ?     
149  1  1  B   11  GLN  B   11  .  ?     
150  1  1  B   12  ALA  B   12  .  ?     
151  1  1  B   13  PHE  B   13  .  ?     
152  1  1  B   14  ARG  B   14  .  ?     
153  1  1  B   15  ILE  B   15  .  ?     
154  1  1  B   16  TRP  B   16  .  ?     
155  1  1  B   17  ASP  B   17  .  ?     
156  1  1  B   18  VAL  B   18  .  ?     
157  1  1  B   19  ASN  B   19  .  ?     
158  1  1  B   20  GLN  B   20  .  ?     
159  1  1  B   21  LYS  B   21  .  ?     
160  1  1  B   22  THR  B   22  .  ?     
161  1  1  B   23  PHE  B   23  .  ?     
162  1  1  B   24  TYR  B   24  .  ?     
163  1  1  B   25  LEU  B   25  .  ?     
164  1  1  B   26  ARG  B   26  .  ?     
165  1  1  B   27  ASN  B   27  .  ?     
166  1  1  B   28  ASN  B   28  .  ?     
167  1  1  B   29  GLN  B   29  .  ?     
168  1  1  B   30  LEU  B   30  .  ?     
169  1  1  B   31  VAL  B   31  .  ?     
170  1  1  B   32  ALA  B   32  .  ?     
171  1  1  B   33  GLY  B   33  .  ?     
172  1  1  B   34  TYR  B   34  .  ?     
173  1  1  B   35  LEU  B   35  .  ?     
174  1  1  B   36  GLN  B   36  .  ?     
175  1  1  B   37  GLY  B   37  .  ?     
176  1  1  B   38  PRO  B   38  .  ?     
177  1  1  B   39  ASN  B   39  .  ?     
178  1  1  B   40  VAL  B   40  .  ?     
179  1  1  B   41  ASN  B   41  .  ?     
180  1  1  B   42  LEU  B   42  .  ?     
181  1  1  B   43  GLU  B   43  .  ?     
182  1  1  B   44  GLU  B   44  .  ?     
183  1  1  B   45  LYS  B   45  .  ?     
184  1  1  B   46  ILE  B   46  .  ?     
185  1  1  B   47  ASP  B   47  .  ?     
186  1  1  B   48  VAL  B   48  .  ?     
187  1  1  B   49  VAL  B   49  .  ?     
188  1  1  B   50  PRO  B   50  .  ?     
189  1  1  B   51  ILE  B   51  .  ?     
190  1  1  B   52  GLU  B   52  .  ?     
191  1  1  B   53  PRO  B   53  .  ?     
192  1  1  B   54  HIS  B   54  .  ?     
193  1  1  B   55  ALA  B   55  .  ?     
194  1  1  B   56  LEU  B   56  .  ?     
195  1  1  B   57  PHE  B   57  .  ?     
196  1  1  B   58  LEU  B   58  .  ?     
197  1  1  B   59  GLY  B   59  .  ?     
198  1  1  B   60  ILE  B   60  .  ?     
199  1  1  B   61  HIS  B   61  .  ?     
200  1  1  B   62  GLY  B   62  .  ?     
201  1  1  B   63  GLY  B   63  .  ?     
202  1  1  B   64  LYS  B   64  .  ?     
203  1  1  B   65  MET  B   65  .  ?     
204  1  1  B   66  CYS  B   66  .  ?     
205  1  1  B   67  LEU  B   67  .  ?     
206  1  1  B   68  SER  B   68  .  ?     
207  1  1  B   69  CYS  B   69  .  ?     
208  1  1  B   70  VAL  B   70  .  ?     
209  1  1  B   71  LYS  B   71  .  ?     
210  1  1  B   72  SER  B   72  .  ?     
211  1  1  B   73  GLY  B   73  .  ?     
212  1  1  B   74  ASP  B   74  .  ?     
213  1  1  B   75  GLU  B   75  .  ?     
214  1  1  B   76  THR  B   76  .  ?     
215  1  1  B   77  ARG  B   77  .  ?     
216  1  1  B   78  LEU  B   78  .  ?     
217  1  1  B   79  GLN  B   79  .  ?     
218  1  1  B   80  LEU  B   80  .  ?     
219  1  1  B   81  GLU  B   81  .  ?     
220  1  1  B   82  ALA  B   82  .  ?     
221  1  1  B   83  VAL  B   83  .  ?     
222  1  1  B   84  ASN  B   84  .  ?     
223  1  1  B   85  ILE  B   85  .  ?     
224  1  1  B   86  THR  B   86  .  ?     
225  1  1  B   87  ASP  B   87  .  ?     
226  1  1  B   88  LEU  B   88  .  ?     
227  1  1  B   89  SER  B   89  .  ?     
228  1  1  B   90  GLU  B   90  .  ?     
229  1  1  B   91  ASN  B   91  .  ?     
230  1  1  B   92  ARG  B   92  .  ?     
231  1  1  B   93  LYS  B   93  .  ?     
232  1  1  B   94  GLN  B   94  .  ?     
233  1  1  B   95  ASP  B   95  .  ?     
234  1  1  B   96  LYS  B   96  .  ?     
235  1  1  B   97  ARG  B   97  .  ?     
236  1  1  B   98  PHE  B   98  .  ?     
237  1  1  B   99  ALA  B   99  .  ?     
238  1  1  B  100  PHE  B  100  .  ?     
239  1  1  B  101  ILE  B  101  .  ?     
240  1  1  B  102  ARG  B  102  .  ?     
241  1  1  B  103  SER  B  103  .  ?     
242  1  1  B  104  ASP  B  104  .  ?     
243  1  1  B  105  SER  B  105  .  ?     
244  1  1  B  106  GLY  B  106  .  ?     
245  1  1  B  107  PRO  B  107  .  ?     
246  1  1  B  108  THR  B  108  .  ?     
247  1  1  B  109  THR  B  109  .  ?     
248  1  1  B  110  SER  B  110  .  ?     
249  1  1  B  111  PHE  B  111  .  ?     
250  1  1  B  112  GLU  B  112  .  ?     
251  1  1  B  113  SER  B  113  .  ?     
252  1  1  B  114  ALA  B  114  .  ?     
253  1  1  B  115  ALA  B  115  .  ?     
254  1  1  B  116  CYS  B  116  .  ?     
255  1  1  B  117  PRO  B  117  .  ?     
256  1  1  B  118  GLY  B  118  .  ?     
257  1  1  B  119  TRP  B  119  .  ?     
258  1  1  B  120  PHE  B  120  .  ?     
259  1  1  B  121  LEU  B  121  .  ?     
260  1  1  B  122  CYS  B  122  .  ?     
261  1  1  B  123  THR  B  123  .  ?     
262  1  1  B  124  ALA  B  124  .  ?     
263  1  1  B  125  MET  B  125  .  ?     
264  1  1  B  126  GLU  B  126  .  ?     
265  1  1  B  127  ALA  B  127  .  ?     
266  1  1  B  128  ASP  B  128  .  ?     
267  1  1  B  129  GLN  B  129  .  ?     
268  1  1  B  130  PRO  B  130  .  ?     
269  1  1  B  131  VAL  B  131  .  ?     
270  1  1  B  132  SER  B  132  .  ?     
271  1  1  B  133  LEU  B  133  .  ?     
272  1  1  B  134  THR  B  134  .  ?     
273  1  1  B  135  ASN  B  135  .  ?     
274  1  1  B  136  MET  B  136  .  ?     
275  1  1  B  137  PRO  B  137  .  ?     
276  1  1  B  138  ASP  B  138  .  ?     
277  1  1  B  139  GLU  B  139  .  ?     
278  1  1  B  140  GLY  B  140  .  ?     
279  1  1  B  141  VAL  B  141  .  ?     
280  1  1  B  142  MET  B  142  .  ?     
281  1  1  B  143  VAL  B  143  .  ?     
282  1  1  B  144  THR  B  144  .  ?     
283  1  1  B  145  LYS  B  145  .  ?     
284  1  1  B  146  PHE  B  146  .  ?     
285  1  1  B  147  TYR  B  147  .  ?     
286  1  1  B  148  PHE  B  148  .  ?     
287  1  1  B  149  GLN  B  149  .  ?     
288  1  1  B  150  GLU  B  150  .  ?     
289  1  1  B  151  ASP  B  151  .  ?     
290  1  1  B  152  GLU  B  152  .  ?     
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
