data_1D6G

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1D6G
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    1D6G
_pdbx_vrpt_summary.PDB_deposition_date         1999-10-13
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2021-07-07
_pdbx_vrpt_summary.report_creation_date        2022-08-20:12:21
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshifts,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer  "cholecystokinin type a receptor"  
2  polymer  cholecystokinin-8  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
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
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  1.24  1.18  372  508  
2  1  2  B  B  1.19  1.19   76  101  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  3.85
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       1.96
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.00
_pdbx_vrpt_summary_geometry.num_H_reduce                               422
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             448
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 1.19
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            609
_pdbx_vrpt_summary_geometry.angles_RMSZ                                1.23
#
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
_pdbx_vrpt_model_instance.count_bond_outliers
_pdbx_vrpt_model_instance.count_angle_outliers
 1  1  1  A   1  MET  A   1  .  ?        ?     ?  
 2  1  1  A   2  ASP  A   2  .  ?        ?     ?  
 3  1  1  A   3  VAL  A   3  .  ?        ?     ?  
 4  1  1  A   4  VAL  A   4  .  ?        ?     ?  
 5  1  1  A   5  ASP  A   5  .  ?        ?     ?  
 6  1  1  A   6  SER  A   6  .  ?        ?     ?  
 7  1  1  A   7  LEU  A   7  .  ?        ?     ?  
 8  1  1  A   8  LEU  A   8  .  ?        ?     ?  
 9  1  1  A   9  VAL  A   9  .  ?        ?     ?  
10  1  1  A  10  ASN  A  10  .  ?        ?     ?  
11  1  1  A  11  GLY  A  11  .  ?        ?     ?  
12  1  1  A  12  SER  A  12  .  ?        ?     ?  
13  1  1  A  13  ASN  A  13  .  ?        ?     ?  
14  1  1  A  14  ILE  A  14  .  ?        ?     ?  
15  1  1  A  15  THR  A  15  .  ?        ?     ?  
16  1  1  A  16  PRO  A  16  .  ?        ?     ?  
17  1  1  A  17  PRO  A  17  .  ?        ?     ?  
18  1  1  A  18  CYS  A  18  .  ?        ?     ?  
19  1  1  A  19  GLU  A  19  .  ?        ?     ?  
20  1  1  A  20  LEU  A  20  .  ?        ?     ?  
21  1  1  A  21  GLY  A  21  .  ?        ?     ?  
22  1  1  A  22  LEU  A  22  .  ?        ?     ?  
23  1  1  A  23  GLU  A  23  .  ?        ?     ?  
24  1  1  A  24  ASN  A  24  .  ?        ?     ?  
25  1  1  A  25  GLU  A  25  .  ?        ?     ?  
26  1  1  A  26  THR  A  26  .  ?        ?     ?  
27  1  1  A  27  LEU  A  27  .  ?        ?     ?  
28  1  1  A  28  PHE  A  28  .  ?        ?     ?  
29  1  1  A  29  CYS  A  29  .  ?        ?     ?  
30  1  1  A  30  LEU  A  30  .  ?        ?     ?  
31  1  1  A  31  ASP  A  31  .  ?        ?     ?  
32  1  1  A  32  GLN  A  32  .  ?        ?     ?  
33  1  1  A  33  PRO  A  33  .  ?        ?     ?  
34  1  1  A  34  ARG  A  34  .  ?        ?     1  
35  1  1  A  35  PRO  A  35  .  ?        ?     ?  
36  1  1  A  36  SER  A  36  .  ?        ?     ?  
37  1  1  A  37  LYS  A  37  .  ?        ?     ?  
38  1  1  A  38  GLU  A  38  .  ?        ?     ?  
39  1  1  A  39  TRP  A  39  .  ?        ?     1  
40  1  1  A  40  GLN  A  40  .  ?        ?     ?  
41  1  1  A  41  PRO  A  41  .  ?        ?     ?  
42  1  1  A  42  ALA  A  42  .  ?        ?     ?  
43  1  1  A  43  GLN  A  43  .  ?        ?     ?  
44  1  1  A  44  VAL  A  44  .  ?        ?     ?  
45  1  1  A  45  ILE  A  45  .  ?        ?     ?  
46  1  1  A  46  LEU  A  46  .  ?        ?     ?  
47  1  1  A  47  LEU  A  47  .  ?        1     ?  
48  1  2  B   1  ASP  B   1  .  ?        ?     ?  
49  1  2  B   2  TYR  B   2  .  ?        ?     ?  
50  1  2  B   3  MET  B   3  .  ?        ?     ?  
51  1  2  B   4  GLY  B   4  .  ?        ?     ?  
52  1  2  B   5  TRP  B   5  .  ?        ?     1  
53  1  2  B   6  MET  B   6  .  ?        ?     ?  
54  1  2  B   7  ASP  B   7  .  ?        ?     ?  
55  1  2  B   8  PHE  B   8  .  ?        ?     ?  
56  1  2  B   9  NH2  B   9  .  ?        ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.cis_peptide
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
 1   1  ttt           ?       ?  ?        ?     11   8  0.74  10  0.62  molprobity  
 2   2  m-20      -65.6   -46.7  Favored  ?      4   8  1.00  11  0.72  molprobity  
 3   3  t         -82.3   115.7  Favored  ?      9   7  1.18  10  1.26  molprobity  
 4   4  m          55.5    70.4  Allowed  ?      9   7  1.24  10  1.57  molprobity  
 5   5  t70       -73.2   -43.7  Favored  ?      4   8  0.97  11  0.77  molprobity  
 6   6  m         -58.6   -39.5  Favored  ?      5   6  1.13   8  0.91  molprobity  
 7   7  mt        -66.7   -40.5  Favored  ?     11   8  1.11  11  0.83  molprobity  
 8   8  mt        -74.3     1.4  Favored  ?     11   8  1.16  11  1.13  molprobity  
 9   9  m        -113.1   -52.2  Favored  ?      9   7  1.21  10  1.42  molprobity  
10  10  m-80      -83.8   106.8  Favored  ?      6   8  1.06  11  0.52  molprobity  
11  11  ?         100.5   -75.4  Allowed  ?      3   4  1.24   5  0.76  molprobity  
12  12  t          79.2   -84.5  OUTLIER  ?      5   6  1.04   8  1.69  molprobity  
13  13  t30       -80.9   155.2  Favored  ?      6   8  1.07  11  0.62  molprobity  
14  14  pp        -64.4   -10.0  Favored  ?     11   8  1.20  11  1.54  molprobity  
15  15  p         -78.0   119.4  Favored  ?      7   7  1.25  11  1.19  molprobity  
16  16  Cg_exo    -63.7   150.5  Favored  ?      7   8  1.14  12  1.01  molprobity  
17  17  Cg_exo    -66.8   136.3  Favored  ?      7   8  0.92  11  0.59  molprobity  
18  18  m        -137.4   102.1  Favored  ?      4   6  0.92   8  1.02  molprobity  
19  19  tm-20    -116.8   113.3  Favored  ?      6   9  1.01  12  0.88  molprobity  
20  20  tp       -107.1   127.0  Favored  ?     11   8  1.02  11  0.75  molprobity  
21  21  ?         -59.7   -36.2  Favored  ?      3   4  1.66   5  1.15  molprobity  
22  22  tp        -54.1   -48.4  Favored  ?     11   8  1.12  11  0.99  molprobity  
23  23  tp10      -72.5   135.6  Favored  ?      6   9  0.98  12  0.89  molprobity  
24  24  m-80      -77.6   -67.8  Allowed  ?      6   8  1.08  11  0.71  molprobity  
25  25  tp10      -84.9   103.2  Favored  ?      6   9  0.98  12  0.82  molprobity  
26  26  p         -89.7    89.3  Favored  ?      7   7  0.89  10  0.85  molprobity  
27  27  pp        -97.6    29.7  Favored  ?     11   8  1.20  11  1.32  molprobity  
28  28  m-85      -90.5   120.3  Favored  ?      9  12  1.09  16  0.85  molprobity  
29  29  m          74.1   -69.8  Allowed  ?      4   6  1.06   8  1.13  molprobity  
30  30  tt        -84.3   128.2  Favored  ?     11   8  0.97  11  1.10  molprobity  
31  31  p30       -83.9     0.7  Favored  ?      4   8  1.15  11  1.52  molprobity  
32  32  tp-100     78.1   107.3  OUTLIER  ?      8   9  1.23  13  1.40  molprobity  
33  33  Cg_exo    -56.6   117.3  Favored  ?      7   8  0.81  11  0.70  molprobity  
34  34  mtt85    -147.2   109.1  Favored  Y     13  11  1.20  15  2.60  molprobity  
35  35  Cg_endo   -83.8   150.2  Favored  ?      7   8  0.90  11  0.69  molprobity  
36  36  t         -84.6    96.9  Favored  ?      5   6  1.07   8  0.76  molprobity  
37  37  pttt     -149.4  -118.8  Allowed  ?     13   9  1.11  11  1.55  molprobity  
38  38  OUTLIER   -97.8   -53.2  Favored  ?      6   9  1.11  12  1.40  molprobity  
39  39  p-90       52.3  -136.8  Allowed  ?     10  16  1.65  23  2.20  molprobity  
40  40  tt0       -56.9   -45.8  Favored  ?      8   9  1.14  13  1.47  molprobity  
41  41  Cg_exo    -45.6   -45.0  Favored  ?      7   8  0.95  11  0.88  molprobity  
42  42  ?         -63.5   -45.2  Favored  ?      5   5  1.06   7  0.92  molprobity  
43  43  mm-40     -62.3   -36.1  Favored  ?      8   9  1.07  12  1.06  molprobity  
44  44  t         -67.7   -41.4  Favored  ?      9   7  1.31  10  1.52  molprobity  
45  45  pt        -70.6    -7.0  Favored  ?     11   8  1.30  11  1.11  molprobity  
46  46  mp         74.6    82.7  Allowed  ?     11   8  1.07  11  1.34  molprobity  
47  47  tp            ?       ?  ?        ?     11   8  2.82   8  1.23  molprobity  
48  48  t70           ?       ?  ?        ?      6   8  0.79  11  0.71  molprobity  
49  49  m-85      -68.6   -56.1  Favored  ?      9  13  1.02  18  0.89  molprobity  
50  50  mmt       -76.1    95.2  Favored  ?      9   8  0.97  10  0.74  molprobity  
51  51  ?         168.9   -53.4  Allowed  ?      3   4  1.27   5  0.58  molprobity  
52  52  m95       -52.6   -57.9  Favored  ?     10  16  1.64  23  1.75  molprobity  
53  53  ptm      -126.0    86.4  Favored  ?      9   8  0.85  10  1.56  molprobity  
54  54  p30       -62.0   -36.0  Favored  ?      4   8  1.05  11  1.00  molprobity  
55  55  p90       -55.9   -44.7  Favored  ?      9  11  1.27  13  0.90  molprobity  
#
_pdbx_vrpt_instance_intra_bond_outliers.ordinal      1
_pdbx_vrpt_instance_intra_bond_outliers.instance_id  47
_pdbx_vrpt_instance_intra_bond_outliers.atom_1       C
_pdbx_vrpt_instance_intra_bond_outliers.atom_2       OXT
_pdbx_vrpt_instance_intra_bond_outliers.obs          1.373
_pdbx_vrpt_instance_intra_bond_outliers.mean         1.229
_pdbx_vrpt_instance_intra_bond_outliers.stdev        0.019
_pdbx_vrpt_instance_intra_bond_outliers.Z            7.58
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1  34  NE   CZ   NH1  124.201  120.300  0.500   7.80  
2  39  CD1  NE1  CE2  103.659  109.000  0.900  -5.93  
3  52  CD1  NE1  CE2  103.939  109.000  0.900  -5.62  
#
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  mogul        unknown                                                               Y  
3  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
