data_1GBQ

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1GBQ
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    1GBQ
_pdbx_vrpt_summary.PDB_deposition_date         1996-12-23
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2022-02-23
_pdbx_vrpt_summary.report_creation_date        2022-08-21:11:21
_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  GRB2   
2  polymer  SOS-1  
#
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  1.31  0.78  475  636  
2  1  2  B  B  1.17  0.72   87  121  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  4.62
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       11.86
_pdbx_vrpt_summary_geometry.clashscore_full_length                     6.35
_pdbx_vrpt_summary_geometry.num_H_reduce                               550
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             562
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.77
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            757
_pdbx_vrpt_summary_geometry.angles_RMSZ                                1.29
#
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
_pdbx_vrpt_model_instance.count_clashes
 1  1  1  A  10  MET  A   1  .  ?        ?     ?     ?  
 2  1  1  A  11  GLU  A   2  .  ?        ?     ?     ?  
 3  1  1  A  12  ALA  A   3  .  ?        ?     ?     5  
 4  1  1  A  13  ILE  A   4  .  ?        ?     ?     ?  
 5  1  1  A  14  ALA  A   5  .  ?        ?     ?     ?  
 6  1  1  A  15  LYS  A   6  .  ?        ?     ?     ?  
 7  1  1  A  16  TYR  A   7  .  ?        ?     ?     ?  
 8  1  1  A  17  ASP  A   8  .  ?        ?     ?     ?  
 9  1  1  A  18  PHE  A   9  .  ?        ?     ?     ?  
10  1  1  A  19  LYS  A  10  .  ?        ?     ?     ?  
11  1  1  A  20  ALA  A  11  .  ?        ?     ?     ?  
12  1  1  A  21  THR  A  12  .  ?        ?     ?     ?  
13  1  1  A  22  ALA  A  13  .  ?        ?     ?     ?  
14  1  1  A  23  ASP  A  14  .  ?        ?     ?     ?  
15  1  1  A  24  ASP  A  15  .  ?        ?     ?     ?  
16  1  1  A  25  GLU  A  16  .  ?        ?     ?     ?  
17  1  1  A  26  LEU  A  17  .  ?        ?     ?     ?  
18  1  1  A  27  SER  A  18  .  ?        1     ?     ?  
19  1  1  A  28  PHE  A  19  .  ?        ?     ?     ?  
20  1  1  A  29  LYS  A  20  .  ?        ?     ?     ?  
21  1  1  A  30  ARG  A  21  .  ?        ?     ?     ?  
22  1  1  A  31  GLY  A  22  .  ?        ?     ?     ?  
23  1  1  A  32  ASP  A  23  .  ?        ?     ?     ?  
24  1  1  A  33  ILE  A  24  .  ?        ?     ?     ?  
25  1  1  A  34  LEU  A  25  .  ?        ?     ?     3  
26  1  1  A  35  LYS  A  26  .  ?        ?     ?     ?  
27  1  1  A  36  VAL  A  27  .  ?        ?     ?     1  
28  1  1  A  37  LEU  A  28  .  ?        ?     ?     ?  
29  1  1  A  38  ASN  A  29  .  ?        ?     ?     ?  
30  1  1  A  39  GLU  A  30  .  ?        ?     ?     ?  
31  1  1  A  40  GLU  A  31  .  ?        ?     ?     ?  
32  1  1  A  41  CYS  A  32  .  ?        ?     ?     ?  
33  1  1  A  42  ASP  A  33  .  ?        ?     ?     ?  
34  1  1  A  43  GLN  A  34  .  ?        ?     ?     ?  
35  1  1  A  44  ASN  A  35  .  ?        ?     ?     ?  
36  1  1  A  45  TRP  A  36  .  ?        ?     ?     ?  
37  1  1  A  46  TYR  A  37  .  ?        ?     ?     1  
38  1  1  A  47  LYS  A  38  .  ?        ?     ?     ?  
39  1  1  A  48  ALA  A  39  .  ?        ?     ?     ?  
40  1  1  A  49  GLU  A  40  .  ?        ?     ?     ?  
41  1  1  A  50  LEU  A  41  .  ?        ?     1     1  
42  1  1  A  51  ASN  A  42  .  ?        ?     ?     ?  
43  1  1  A  52  GLY  A  43  .  ?        ?     ?     ?  
44  1  1  A  53  LYS  A  44  .  ?        ?     ?     ?  
45  1  1  A  54  ASP  A  45  .  ?        ?     ?     ?  
46  1  1  A  55  GLY  A  46  .  ?        ?     ?     ?  
47  1  1  A  56  PHE  A  47  .  ?        ?     ?     ?  
48  1  1  A  57  ILE  A  48  .  ?        ?     ?     ?  
49  1  1  A  58  PRO  A  49  .  ?        ?     ?     ?  
50  1  1  A  59  LYS  A  50  .  ?        ?     ?     ?  
51  1  1  A  60  ASN  A  51  .  ?        ?     ?     ?  
52  1  1  A  61  TYR  A  52  .  ?        ?     ?     ?  
53  1  1  A  62  ILE  A  53  .  ?        ?     ?     2  
54  1  1  A  63  GLU  A  54  .  ?        ?     ?     ?  
55  1  1  A  64  MET  A  55  .  ?        ?     ?     1  
56  1  1  A  65  LYS  A  56  .  ?        ?     ?     ?  
57  1  1  A  66  PRO  A  57  .  ?        ?     ?     ?  
58  1  2  B   1  ACE  B   0  .  ?        ?     ?     ?  
59  1  2  B   2  VAL  B   1  .  ?        ?     ?     ?  
60  1  2  B   3  PRO  B   2  .  ?        ?     ?     ?  
61  1  2  B   4  PRO  B   3  .  ?        ?     ?     ?  
62  1  2  B   5  PRO  B   4  .  ?        ?     ?     ?  
63  1  2  B   6  VAL  B   5  .  ?        ?     ?     ?  
64  1  2  B   7  PRO  B   6  .  ?        ?     ?     ?  
65  1  2  B   8  PRO  B   7  .  ?        ?     ?     ?  
66  1  2  B   9  ARG  B   8  .  ?        ?     ?     ?  
67  1  2  B  10  ARG  B   9  .  ?        ?     ?     ?  
68  1  2  B  11  ARG  B  10  .  ?        ?     ?     ?  
69  1  2  B  12  NH2  B  11  .  ?        ?     ?     ?  
#
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.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  ttp           ?       ?  ?        11   8  0.63  10  1.10  molprobity  
 2   2  mt-10     -78.9   109.6  Favored   6   9  1.14  12  1.32  molprobity  
 3   3  ?        -101.5   135.6  Favored   5   5  0.55   7  2.26  molprobity  
 4   4  mt       -136.9   117.8  Favored  11   8  0.35  11  0.82  molprobity  
 5   5  ?         -67.2   124.8  Favored   5   5  0.50   7  1.19  molprobity  
 6   6  mtmt      -89.4   -24.5  Favored  13   9  0.55  11  1.21  molprobity  
 7   7  m-85     -139.6   166.0  Favored   9  13  0.65  18  1.03  molprobity  
 8   8  p-10      -84.5   129.3  Favored   4   8  0.66  11  1.12  molprobity  
 9   9  t80      -138.2   131.4  Favored   9  12  0.47  16  1.31  molprobity  
10  10  OUTLIER  -109.6   124.4  Favored  13   9  0.75  11  1.02  molprobity  
11  11  ?         -51.8   158.4  Allowed   5   5  0.60   7  2.11  molprobity  
12  12  p        -111.3   -13.6  Favored   7   7  0.89  10  1.76  molprobity  
13  13  ?        -150.9   170.8  Favored   5   5  0.43   7  1.68  molprobity  
14  14  t70       -67.3   -25.1  Favored   4   8  0.69  11  1.31  molprobity  
15  15  p30       -83.5   -19.6  Favored   4   8  0.78  11  1.23  molprobity  
16  16  mt-10    -100.0   156.6  Favored   6   9  1.07  12  1.13  molprobity  
17  17  pp       -135.4   156.9  Favored  11   8  0.40  11  1.78  molprobity  
18  18  m         -86.1   160.4  Favored   5   6  2.42   8  2.54  molprobity  
19  19  p90      -159.7   152.2  Favored   9  12  0.48  16  1.16  molprobity  
20  20  mtmt     -107.3   144.7  Favored  13   9  0.59  11  0.97  molprobity  
21  21  tmt_?     -45.8    95.1  OUTLIER  13  11  0.79  14  1.23  molprobity  
22  22  ?         124.3     9.0  Favored   3   4  1.05   5  0.95  molprobity  
23  23  m-20      -76.1   151.4  Favored   4   8  0.73  11  1.29  molprobity  
24  24  mt       -103.2   115.2  Favored  11   8  0.37  11  1.54  molprobity  
25  25  OUTLIER  -103.7   164.5  Favored  11   8  0.41  11  1.79  molprobity  
26  26  tttt     -131.1   111.4  Favored  13   9  0.52  11  0.94  molprobity  
27  27  t         -88.5   108.8  Favored   9   7  0.39  10  1.72  molprobity  
28  28  tp        -91.0   -31.2  Favored  11   8  0.51  11  1.08  molprobity  
29  29  t-20     -152.8   158.0  Favored   6   8  0.66  11  1.56  molprobity  
30  30  pt-20    -173.0   113.7  Allowed   6   9  1.15  12  1.10  molprobity  
31  31  pt-20    -166.0    31.2  OUTLIER   6   9  1.09  12  0.93  molprobity  
32  32  m        -154.1   -84.2  Allowed   5   6  0.35   8  0.82  molprobity  
33  33  OUTLIER   -80.6   133.8  Favored   4   8  0.66  11  1.26  molprobity  
34  34  mt-30    -101.6    51.9  Allowed   8   9  0.61  12  1.50  molprobity  
35  35  m-20     -164.8   -23.2  OUTLIER   6   8  0.78  11  0.81  molprobity  
36  36  m95      -137.5   125.8  Favored  10  16  1.20  23  1.41  molprobity  
37  37  m-85     -105.0   143.7  Favored   9  13  0.80  18  1.13  molprobity  
38  38  tttt     -103.2    91.3  Favored  13   9  0.58  11  0.84  molprobity  
39  39  ?        -106.7  -171.2  Allowed   5   5  0.55   7  1.11  molprobity  
40  40  tt0      -131.5   137.5  Favored   6   9  1.16  12  1.47  molprobity  
41  41  mt       -161.6   142.5  Favored  11   8  0.52  11  2.43  molprobity  
42  42  OUTLIER    54.7    39.1  Favored   6   8  0.78  11  1.96  molprobity  
43  43  ?          71.5    16.4  Favored   3   4  0.85   5  0.74  molprobity  
44  44  mttt     -133.9   169.5  Favored  13   9  0.59  11  1.00  molprobity  
45  45  OUTLIER  -142.1   137.7  Favored   4   8  0.85  11  1.25  molprobity  
46  46  ?        -171.5   178.8  Favored   3   4  0.30   5  1.52  molprobity  
47  47  m-85      -79.8   140.9  Favored   9  12  0.55  16  0.99  molprobity  
48  48  pt       -140.2   141.4  Favored  11   8  0.69  12  0.74  molprobity  
49  49  Cg_endo   -70.9   140.8  Favored   7   8  0.66  11  1.16  molprobity  
50  50  mtmt      -72.0   -20.9  Favored  13   9  0.76  11  0.82  molprobity  
51  51  p-10      -80.1   -13.8  Favored   6   8  0.56  11  1.05  molprobity  
52  52  m-85      -92.2    -2.1  Favored   9  13  0.88  18  0.98  molprobity  
53  53  OUTLIER  -132.4   158.3  Favored  11   8  0.66  11  1.25  molprobity  
54  54  tt0      -106.9   116.6  Favored   6   9  1.14  12  1.18  molprobity  
55  55  mtm       -88.5   144.3  Favored   9   8  0.54  10  1.41  molprobity  
56  56  mmmm     -153.3    83.7  Favored  13   9  0.84  12  0.97  molprobity  
57  57  Cg_endo       ?       ?  ?         7   7  0.54   8  0.78  molprobity  
58  58  ?             ?       ?  ?         3   1  0.61   2  1.23  molprobity  
59  59  t        -117.6    97.7  Favored   9   7  0.70  11  0.73  molprobity  
60  60  Cg_exo    -55.8   151.8  Favored   7   8  0.92  12  0.78  molprobity  
61  61  Cg_exo    -50.0   162.1  Allowed   7   8  0.77  12  1.33  molprobity  
62  62  Cg_endo   -81.2   122.8  Favored   7   8  0.49  11  1.25  molprobity  
63  63  t         -69.1   139.5  Favored   9   7  0.87  11  1.43  molprobity  
64  64  Cg_exo    -63.2   157.4  Favored   7   8  0.73  12  0.96  molprobity  
65  65  Cg_endo   -76.4   114.3  Favored   7   8  0.68  11  0.85  molprobity  
66  66  OUTLIER   -89.6    67.3  Favored  13  11  0.67  14  1.75  molprobity  
67  67  mtp180   -160.1   108.5  Allowed  13  11  0.63  14  1.28  molprobity  
68  68  mmm-85    -84.0   -37.1  Favored  13  10  0.75  11  0.68  molprobity  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   3  HB3   1  0.60  1.72  
 2   3  HB3   2  0.50  2.36  
 3   3  HB1   3  0.58  2.29  
 4   3  HB1   4  0.53  1.78  
 5   3  HB2   5  0.42  2.45  
 6  25  HB2   1  0.60  1.72  
 7  25  CB    2  0.50  2.36  
 8  25  HD11  6  0.46  1.87  
 9  27  CG2   5  0.42  2.45  
10  37  OH    7  0.47  2.59  
11  41  HD11  6  0.46  1.87  
12  53  CD1   3  0.58  2.29  
13  53  HD12  4  0.53  1.78  
14  55  SD    7  0.47  2.59  
#
_pdbx_vrpt_instance_intra_bond_outliers.ordinal      1
_pdbx_vrpt_instance_intra_bond_outliers.instance_id  18
_pdbx_vrpt_instance_intra_bond_outliers.atom_1       CB
_pdbx_vrpt_instance_intra_bond_outliers.atom_2       OG
_pdbx_vrpt_instance_intra_bond_outliers.obs          1.489
_pdbx_vrpt_instance_intra_bond_outliers.mean         1.418
_pdbx_vrpt_instance_intra_bond_outliers.stdev        0.013
_pdbx_vrpt_instance_intra_bond_outliers.Z            5.43
#
_pdbx_vrpt_instance_intra_angle_outliers.ordinal      1
_pdbx_vrpt_instance_intra_angle_outliers.instance_id  41
_pdbx_vrpt_instance_intra_angle_outliers.atom_1       CB
_pdbx_vrpt_instance_intra_angle_outliers.atom_2       CA
_pdbx_vrpt_instance_intra_angle_outliers.atom_3       C
_pdbx_vrpt_instance_intra_angle_outliers.obs          99.862
_pdbx_vrpt_instance_intra_angle_outliers.mean         110.200
_pdbx_vrpt_instance_intra_angle_outliers.stdev        1.900
_pdbx_vrpt_instance_intra_angle_outliers.Z            -5.44
#
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        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
