# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms
data_21e3a86ec2cf37cf
#
_entry.id 21e3a86ec2cf37cf
#
loop_
_atom_type.symbol
C 
N 
O 
S 
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
"Google DeepMind" 1 
"Isomorphic Labs" 2 
#
_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic
_audit_conform.dict_name     mmcif_ma.dic
_audit_conform.dict_version  1.4.5
#
loop_
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.id
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_smiles
_chem_comp.pdbx_synonyms
_chem_comp.type
"C6 H15 N4 O2" 175.209 ARG y ARGININE        N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" 
"C4 H7 N O4"   133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O         ? "L-PEPTIDE LINKING" 
"C3 H7 N O2 S" 121.158 CYS y CYSTEINE        N[C@@H](CS)C(O)=O              ? "L-PEPTIDE LINKING" 
"C6 H10 N3 O2" 156.162 HIS y HISTIDINE       N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"  131.173 ILE y ISOLEUCINE      CC[C@H](C)[C@H](N)C(O)=O       ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"  131.173 LEU y LEUCINE         CC(C)C[C@H](N)C(O)=O           ? "L-PEPTIDE LINKING" 
"C9 H11 N O2"  165.189 PHE y PHENYLALANINE   N[C@@H](Cc1ccccc1)C(O)=O       ? "L-PEPTIDE LINKING" 
"C3 H7 N O3"   105.093 SER y SERINE          N[C@@H](CO)C(O)=O              ? "L-PEPTIDE LINKING" 
#
_citation.book_publisher          ?
_citation.country                 UK
_citation.id                      primary
_citation.journal_full            Nature
_citation.journal_id_ASTM         NATUAS
_citation.journal_id_CSD          0006
_citation.journal_id_ISSN         0028-0836
_citation.journal_volume          630
_citation.page_first              493
_citation.page_last               500
_citation.pdbx_database_id_DOI    10.1038/s41586-024-07487-w
_citation.pdbx_database_id_PubMed 38718835
_citation.title                   "Accurate structure prediction of biomolecular interactions with AlphaFold 3"
_citation.year                    2024
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary "Google DeepMind" 1 
primary "Isomorphic Labs" 2 
#
_entity.id               1
_entity.pdbx_description .
_entity.type             polymer
#
_entity_poly.entity_id      1
_entity_poly.pdbx_strand_id A
_entity_poly.type           polypeptide(L)
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.hetero
_entity_poly_seq.mon_id
_entity_poly_seq.num
1 n ARG 1  
1 n ASP 2  
1 n CYS 3  
1 n CYS 4  
1 n ILE 5  
1 n ARG 6  
1 n HIS 7  
1 n PHE 8  
1 n LEU 9  
1 n CYS 10 
1 n CYS 11 
1 n SER 12 
1 n SER 13 
1 n ASP 14 
#
_ma_data.content_type "model coordinates"
_ma_data.id           1
_ma_data.name         Model
#
_ma_model_list.data_id          1
_ma_model_list.model_group_id   1
_ma_model_list.model_group_name "AlphaFold-beta-20231127 (2b86f29d-618d-47cf-8aef-20020b1102eb @ 2025-05-20 08:43:26)"
_ma_model_list.model_id         1
_ma_model_list.model_name       "Top ranked model"
_ma_model_list.model_type       "Ab initio model"
_ma_model_list.ordinal_id       1
#
loop_
_ma_protocol_step.method_type
_ma_protocol_step.ordinal_id
_ma_protocol_step.protocol_id
_ma_protocol_step.step_id
"coevolution MSA" 1 1 1 
"template search" 2 1 2 
modeling          3 1 3 
#
loop_
_ma_qa_metric.id
_ma_qa_metric.mode
_ma_qa_metric.name
_ma_qa_metric.software_group_id
_ma_qa_metric.type
1 global pLDDT 1 pLDDT 
2 local  pLDDT 1 pLDDT 
#
_ma_qa_metric_global.metric_id    1
_ma_qa_metric_global.metric_value 83.83
_ma_qa_metric_global.model_id     1
_ma_qa_metric_global.ordinal_id   1
#
_ma_software_group.group_id    1
_ma_software_group.ordinal_id  1
_ma_software_group.software_id 1
#
_ma_target_entity.data_id   1
_ma_target_entity.entity_id 1
_ma_target_entity.origin    .
#
_ma_target_entity_instance.asym_id   A
_ma_target_entity_instance.details   .
_ma_target_entity_instance.entity_id 1
#
loop_
_pdbx_data_usage.details
_pdbx_data_usage.id
_pdbx_data_usage.type
_pdbx_data_usage.url
;NON-COMMERCIAL USE ONLY, BY USING THIS FILE YOU AGREE TO THE TERMS OF USE FOUND
AT alphafoldserver.com/output-terms.
;
1 license    ? 
;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT
APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED
ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY
AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY
WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT
USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY.
;
2 disclaimer ? 
#
loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.hetero
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.pdb_ins_code
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.seq_id
A 1  1 n ARG . 1  A 1  
A 2  1 n ASP . 2  A 2  
A 3  1 n CYS . 3  A 3  
A 4  1 n CYS . 4  A 4  
A 5  1 n ILE . 5  A 5  
A 6  1 n ARG . 6  A 6  
A 7  1 n HIS . 7  A 7  
A 8  1 n PHE . 8  A 8  
A 9  1 n LEU . 9  A 9  
A 10 1 n CYS . 10 A 10 
A 11 1 n CYS . 11 A 11 
A 12 1 n SER . 12 A 12 
A 13 1 n SER . 13 A 13 
A 14 1 n ASP . 14 A 14 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (2b86f29d-618d-47cf-8aef-20020b1102eb @ 2025-05-20 08:43:26)"
#
_struct_asym.entity_id 1
_struct_asym.id        A
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.auth_seq_id
_atom_site.auth_asym_id
_atom_site.pdbx_PDB_model_num
ATOM 1   N N   . ARG A 1 1  ? -3.436 -2.715 5.212  1.00 79.48 1  A 1 
ATOM 2   C CA  . ARG A 1 1  ? -2.124 -2.886 4.576  1.00 84.85 1  A 1 
ATOM 3   C C   . ARG A 1 1  ? -1.186 -1.753 4.977  1.00 84.70 1  A 1 
ATOM 4   O O   . ARG A 1 1  ? -1.636 -0.676 5.356  1.00 80.35 1  A 1 
ATOM 5   C CB  . ARG A 1 1  ? -2.289 -2.916 3.057  1.00 81.64 1  A 1 
ATOM 6   C CG  . ARG A 1 1  ? -1.650 -4.131 2.417  1.00 74.38 1  A 1 
ATOM 7   C CD  . ARG A 1 1  ? -2.158 -4.357 1.011  1.00 69.92 1  A 1 
ATOM 8   N NE  . ARG A 1 1  ? -1.327 -5.327 0.282  1.00 69.19 1  A 1 
ATOM 9   C CZ  . ARG A 1 1  ? -1.409 -6.645 0.424  1.00 64.35 1  A 1 
ATOM 10  N NH1 . ARG A 1 1  ? -2.267 -7.176 1.276  1.00 62.86 1  A 1 
ATOM 11  N NH2 . ARG A 1 1  ? -0.630 -7.425 -0.279 1.00 60.21 1  A 1 
ATOM 12  N N   . ASP A 1 2  ? 0.100  -2.011 4.924  1.00 82.32 2  A 1 
ATOM 13  C CA  . ASP A 1 2  ? 1.089  -1.005 5.311  1.00 88.06 2  A 1 
ATOM 14  C C   . ASP A 1 2  ? 1.077  0.187  4.367  1.00 90.24 2  A 1 
ATOM 15  O O   . ASP A 1 2  ? 1.474  1.286  4.746  1.00 86.80 2  A 1 
ATOM 16  C CB  . ASP A 1 2  ? 2.487  -1.631 5.343  1.00 84.35 2  A 1 
ATOM 17  C CG  . ASP A 1 2  ? 2.690  -2.526 6.538  1.00 74.39 2  A 1 
ATOM 18  O OD1 . ASP A 1 2  ? 1.756  -3.262 6.881  1.00 70.93 2  A 1 
ATOM 19  O OD2 . ASP A 1 2  ? 3.783  -2.490 7.132  1.00 72.55 2  A 1 
ATOM 20  N N   . CYS A 1 3  ? 0.651  -0.007 3.152  1.00 91.94 3  A 1 
ATOM 21  C CA  . CYS A 1 3  ? 0.606  1.070  2.168  1.00 92.40 3  A 1 
ATOM 22  C C   . CYS A 1 3  ? -0.341 2.181  2.609  1.00 93.05 3  A 1 
ATOM 23  O O   . CYS A 1 3  ? -0.182 3.324  2.217  1.00 89.84 3  A 1 
ATOM 24  C CB  . CYS A 1 3  ? 0.195  0.534  0.797  1.00 90.47 3  A 1 
ATOM 25  S SG  . CYS A 1 3  ? 1.111  1.294  -0.553 1.00 84.62 3  A 1 
ATOM 26  N N   . CYS A 1 4  ? -1.309 1.819  3.448  1.00 91.61 4  A 1 
ATOM 27  C CA  . CYS A 1 4  ? -2.268 2.802  3.942  1.00 92.02 4  A 1 
ATOM 28  C C   . CYS A 1 4  ? -1.554 3.908  4.719  1.00 92.56 4  A 1 
ATOM 29  O O   . CYS A 1 4  ? -1.984 5.053  4.714  1.00 90.58 4  A 1 
ATOM 30  C CB  . CYS A 1 4  ? -3.295 2.121  4.850  1.00 90.25 4  A 1 
ATOM 31  S SG  . CYS A 1 4  ? -3.985 0.572  4.151  1.00 85.47 4  A 1 
ATOM 32  N N   . ILE A 1 5  ? -0.466 3.555  5.379  1.00 92.97 5  A 1 
ATOM 33  C CA  . ILE A 1 5  ? 0.289  4.506  6.187  1.00 93.30 5  A 1 
ATOM 34  C C   . ILE A 1 5  ? 1.083  5.465  5.298  1.00 94.27 5  A 1 
ATOM 35  O O   . ILE A 1 5  ? 1.217  6.645  5.605  1.00 92.76 5  A 1 
ATOM 36  C CB  . ILE A 1 5  ? 1.226  3.761  7.150  1.00 92.60 5  A 1 
ATOM 37  C CG1 . ILE A 1 5  ? 0.396  2.852  8.078  1.00 88.58 5  A 1 
ATOM 38  C CG2 . ILE A 1 5  ? 2.055  4.754  7.980  1.00 86.91 5  A 1 
ATOM 39  C CD1 . ILE A 1 5  ? 1.252  1.920  8.905  1.00 84.06 5  A 1 
ATOM 40  N N   . ARG A 1 6  ? 1.602  4.952  4.212  1.00 90.78 6  A 1 
ATOM 41  C CA  . ARG A 1 6  ? 2.388  5.777  3.298  1.00 91.86 6  A 1 
ATOM 42  C C   . ARG A 1 6  ? 1.479  6.584  2.367  1.00 92.36 6  A 1 
ATOM 43  O O   . ARG A 1 6  ? 1.659  7.785  2.208  1.00 91.72 6  A 1 
ATOM 44  C CB  . ARG A 1 6  ? 3.330  4.887  2.480  1.00 91.29 6  A 1 
ATOM 45  C CG  . ARG A 1 6  ? 4.176  5.697  1.505  1.00 85.38 6  A 1 
ATOM 46  C CD  . ARG A 1 6  ? 5.331  4.884  0.950  1.00 84.31 6  A 1 
ATOM 47  N NE  . ARG A 1 6  ? 6.464  4.865  1.874  1.00 79.91 6  A 1 
ATOM 48  C CZ  . ARG A 1 6  ? 7.633  4.292  1.607  1.00 76.28 6  A 1 
ATOM 49  N NH1 . ARG A 1 6  ? 7.821  3.664  0.458  1.00 72.70 6  A 1 
ATOM 50  N NH2 . ARG A 1 6  ? 8.618  4.353  2.493  1.00 70.88 6  A 1 
ATOM 51  N N   . HIS A 1 7  ? 0.527  5.917  1.764  1.00 89.41 7  A 1 
ATOM 52  C CA  . HIS A 1 7  ? -0.407 6.578  0.853  1.00 89.89 7  A 1 
ATOM 53  C C   . HIS A 1 7  ? -1.800 5.990  1.031  1.00 91.13 7  A 1 
ATOM 54  O O   . HIS A 1 7  ? -2.012 4.812  0.774  1.00 88.89 7  A 1 
ATOM 55  C CB  . HIS A 1 7  ? 0.041  6.397  -0.593 1.00 88.50 7  A 1 
ATOM 56  C CG  . HIS A 1 7  ? 1.482  6.747  -0.828 1.00 82.36 7  A 1 
ATOM 57  N ND1 . HIS A 1 7  ? 2.479  5.810  -0.991 1.00 74.47 7  A 1 
ATOM 58  C CD2 . HIS A 1 7  ? 2.077  7.956  -0.926 1.00 76.75 7  A 1 
ATOM 59  C CE1 . HIS A 1 7  ? 3.626  6.438  -1.174 1.00 73.95 7  A 1 
ATOM 60  N NE2 . HIS A 1 7  ? 3.424  7.745  -1.139 1.00 76.24 7  A 1 
ATOM 61  N N   . PHE A 1 8  ? -2.712 6.821  1.443  1.00 90.18 8  A 1 
ATOM 62  C CA  . PHE A 1 8  ? -4.080 6.370  1.655  1.00 90.51 8  A 1 
ATOM 63  C C   . PHE A 1 8  ? -4.684 5.824  0.365  1.00 92.02 8  A 1 
ATOM 64  O O   . PHE A 1 8  ? -5.375 4.801  0.370  1.00 89.49 8  A 1 
ATOM 65  C CB  . PHE A 1 8  ? -4.931 7.529  2.192  1.00 89.03 8  A 1 
ATOM 66  C CG  . PHE A 1 8  ? -6.323 7.090  2.566  1.00 83.57 8  A 1 
ATOM 67  C CD1 . PHE A 1 8  ? -6.545 6.309  3.692  1.00 81.78 8  A 1 
ATOM 68  C CD2 . PHE A 1 8  ? -7.410 7.452  1.783  1.00 81.20 8  A 1 
ATOM 69  C CE1 . PHE A 1 8  ? -7.826 5.899  4.031  1.00 78.46 8  A 1 
ATOM 70  C CE2 . PHE A 1 8  ? -8.696 7.039  2.119  1.00 77.95 8  A 1 
ATOM 71  C CZ  . PHE A 1 8  ? -8.905 6.263  3.246  1.00 77.23 8  A 1 
ATOM 72  N N   . LEU A 1 9  ? -4.413 6.495  -0.735 1.00 93.02 9  A 1 
ATOM 73  C CA  . LEU A 1 9  ? -4.921 6.049  -2.035 1.00 93.15 9  A 1 
ATOM 74  C C   . LEU A 1 9  ? -4.288 4.727  -2.442 1.00 94.08 9  A 1 
ATOM 75  O O   . LEU A 1 9  ? -4.933 3.895  -3.085 1.00 91.73 9  A 1 
ATOM 76  C CB  . LEU A 1 9  ? -4.652 7.105  -3.097 1.00 91.72 9  A 1 
ATOM 77  C CG  . LEU A 1 9  ? -5.400 8.406  -2.868 1.00 86.56 9  A 1 
ATOM 78  C CD1 . LEU A 1 9  ? -4.950 9.445  -3.884 1.00 84.03 9  A 1 
ATOM 79  C CD2 . LEU A 1 9  ? -6.903 8.201  -2.966 1.00 83.84 9  A 1 
ATOM 80  N N   . CYS A 1 10 ? -3.049 4.542  -2.065 1.00 92.67 10 A 1 
ATOM 81  C CA  . CYS A 1 10 ? -2.350 3.289  -2.353 1.00 92.77 10 A 1 
ATOM 82  C C   . CYS A 1 10 ? -3.074 2.132  -1.687 1.00 92.20 10 A 1 
ATOM 83  O O   . CYS A 1 10 ? -3.266 1.079  -2.280 1.00 89.01 10 A 1 
ATOM 84  C CB  . CYS A 1 10 ? -0.908 3.348  -1.854 1.00 90.91 10 A 1 
ATOM 85  S SG  . CYS A 1 10 ? -0.028 1.791  -2.159 1.00 87.42 10 A 1 
ATOM 86  N N   . CYS A 1 11 ? -3.474 2.360  -0.454 1.00 91.00 11 A 1 
ATOM 87  C CA  . CYS A 1 11 ? -4.209 1.361  0.316  1.00 90.99 11 A 1 
ATOM 88  C C   . CYS A 1 11 ? -5.469 0.946  -0.426 1.00 90.85 11 A 1 
ATOM 89  O O   . CYS A 1 11 ? -5.800 -0.235 -0.496 1.00 87.78 11 A 1 
ATOM 90  C CB  . CYS A 1 11 ? -4.569 1.943  1.676  1.00 89.52 11 A 1 
ATOM 91  S SG  . CYS A 1 11 ? -5.308 0.714  2.775  1.00 85.99 11 A 1 
ATOM 92  N N   . SER A 1 12 ? -6.152 1.924  -0.980 1.00 88.98 12 A 1 
ATOM 93  C CA  . SER A 1 12 ? -7.373 1.671  -1.728 1.00 88.19 12 A 1 
ATOM 94  C C   . SER A 1 12 ? -7.078 0.878  -2.999 1.00 86.23 12 A 1 
ATOM 95  O O   . SER A 1 12 ? -7.883 0.060  -3.430 1.00 83.53 12 A 1 
ATOM 96  C CB  . SER A 1 12 ? -8.060 2.983  -2.102 1.00 85.50 12 A 1 
ATOM 97  O OG  . SER A 1 12 ? -9.362 2.705  -2.579 1.00 78.13 12 A 1 
ATOM 98  N N   . SER A 1 13 ? -5.931 1.135  -3.583 1.00 86.65 13 A 1 
ATOM 99  C CA  . SER A 1 13 ? -5.521 0.443  -4.798 1.00 84.42 13 A 1 
ATOM 100 C C   . SER A 1 13 ? -5.154 -1.005 -4.496 1.00 81.19 13 A 1 
ATOM 101 O O   . SER A 1 13 ? -5.337 -1.886 -5.341 1.00 75.30 13 A 1 
ATOM 102 C CB  . SER A 1 13 ? -4.342 1.151  -5.448 1.00 81.50 13 A 1 
ATOM 103 O OG  . SER A 1 13 ? -4.204 0.717  -6.790 1.00 72.87 13 A 1 
ATOM 104 N N   . ASP A 1 14 ? -4.634 -1.230 -3.308 1.00 83.19 14 A 1 
ATOM 105 C CA  . ASP A 1 14 ? -4.259 -2.578 -2.875 1.00 79.47 14 A 1 
ATOM 106 C C   . ASP A 1 14 ? -5.445 -3.310 -2.278 1.00 74.72 14 A 1 
ATOM 107 O O   . ASP A 1 14 ? -5.860 -4.338 -2.835 1.00 67.31 14 A 1 
ATOM 108 C CB  . ASP A 1 14 ? -3.134 -2.506 -1.843 1.00 73.04 14 A 1 
ATOM 109 C CG  . ASP A 1 14 ? -1.785 -2.415 -2.494 1.00 67.00 14 A 1 
ATOM 110 O OD1 . ASP A 1 14 ? -1.389 -3.378 -3.173 1.00 62.44 14 A 1 
ATOM 111 O OD2 . ASP A 1 14 ? -1.107 -1.394 -2.308 1.00 64.05 14 A 1 
ATOM 112 O OXT . ASP A 1 14 ? -5.923 -2.843 -1.227 1.00 63.55 14 A 1 
#
