# By using this file you agree to the legally binding terms of use found at
# https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md.
# To request access to the AlphaFold 3 model parameters, follow the process set
# out at https://github.com/google-deepmind/alphafold3. You may only use these if
# received directly from Google. Use is subject to terms of use available at
# https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.
data_quiet-table
#
_entry.id quiet-table
#
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
"C3 H7 N O2"   89.093  ALA y ALANINE  C[C@@H](C(=O)O)N    ? "L-PEPTIDE LINKING" 
"C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" 
"C4 H9 N O2"   103.120 UNK y UNKNOWN  CC[C@@H](C(=O)O)N   ? "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 UNK 1  
1 n CYS 2  
1 n UNK 3  
1 n ALA 4  
1 n CYS 5  
1 n UNK 6  
1 n CYS 7  
1 n UNK 8  
1 n ALA 9  
1 n UNK 10 
1 n CYS 11 
#
_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 (3.0.1 @ 2025-04-15 14:53:03)"
_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 85.07
_ma_qa_metric_global.model_id     1
_ma_qa_metric_global.ordinal_id   1
#
loop_
_ma_qa_metric_local.label_asym_id
_ma_qa_metric_local.label_comp_id
_ma_qa_metric_local.label_seq_id
_ma_qa_metric_local.metric_id
_ma_qa_metric_local.metric_value
_ma_qa_metric_local.model_id
_ma_qa_metric_local.ordinal_id
A UNK 1  2 81.67 1 1  
A CYS 2  2 83.19 1 2  
A UNK 3  2 86.20 1 3  
A ALA 4  2 88.95 1 4  
A CYS 5  2 87.67 1 5  
A UNK 6  2 88.28 1 6  
A CYS 7  2 85.37 1 7  
A UNK 8  2 85.55 1 8  
A ALA 9  2 83.99 1 9  
A UNK 10 2 83.31 1 10 
A CYS 11 2 82.38 1 11 
#
_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 https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md.
To request access to the AlphaFold 3 model parameters, follow the process set
out at https://github.com/google-deepmind/alphafold3. You may only use these if
received directly from Google. Use is subject to terms of use available at
https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.
;
1 license    https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md 
;AlphaFold 3 and its output are not intended for, have not been validated for,
and are not approved for clinical use. They are provided "as-is" without any
warranty of any kind, whether expressed or implied. No warranty is given that
use 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 UNK . 1  A 1  
A 2  1 n CYS . 2  A 2  
A 3  1 n UNK . 3  A 3  
A 4  1 n ALA . 4  A 4  
A 5  1 n CYS . 5  A 5  
A 6  1 n UNK . 6  A 6  
A 7  1 n CYS . 7  A 7  
A 8  1 n UNK . 8  A 8  
A 9  1 n ALA . 9  A 9  
A 10 1 n UNK . 10 A 10 
A 11 1 n CYS . 11 A 11 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (25b635fa27adb4b12654a9dc6367a96b1463ec03aa886066ffc6cf0691bbe007)"
#
_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
HETATM 1  N N   . UNK A 1 1  ? -3.254 6.557  7.720  1.00 81.67 1  A 1 
HETATM 2  C CA  . UNK A 1 1  ? -1.942 6.449  7.080  1.00 81.40 1  A 1 
HETATM 3  C C   . UNK A 1 1  ? -1.699 5.013  6.634  1.00 83.58 1  A 1 
HETATM 4  O O   . UNK A 1 1  ? -1.597 4.123  7.465  1.00 80.03 1  A 1 
ATOM   5  N N   . CYS A 1 2  ? -1.621 4.771  5.329  1.00 83.21 2  A 1 
ATOM   6  C CA  . CYS A 1 2  ? -1.331 3.436  4.792  1.00 84.73 2  A 1 
ATOM   7  C C   . CYS A 1 2  ? 0.167  3.155  4.821  1.00 85.55 2  A 1 
ATOM   8  O O   . CYS A 1 2  ? 0.974  4.076  4.948  1.00 82.75 2  A 1 
ATOM   9  C CB  . CYS A 1 2  ? -1.831 3.345  3.351  1.00 82.47 2  A 1 
ATOM   10 S SG  . CYS A 1 2  ? -3.571 2.878  3.235  1.00 80.41 2  A 1 
HETATM 11 N N   . UNK A 1 3  ? 0.529  1.878  4.669  1.00 85.20 3  A 1 
HETATM 12 C CA  . UNK A 1 3  ? 1.943  1.495  4.627  1.00 85.94 3  A 1 
HETATM 13 C C   . UNK A 1 3  ? 2.461  1.642  3.209  1.00 87.80 3  A 1 
HETATM 14 O O   . UNK A 1 3  ? 3.325  2.474  2.932  1.00 85.88 3  A 1 
ATOM   15 N N   . ALA A 1 4  ? 1.924  0.853  2.286  1.00 88.93 4  A 1 
ATOM   16 C CA  . ALA A 1 4  ? 2.335  0.888  0.875  1.00 89.41 4  A 1 
ATOM   17 C C   . ALA A 1 4  ? 1.644  -0.235 0.107  1.00 90.23 4  A 1 
ATOM   18 O O   . ALA A 1 4  ? 0.655  -0.012 -0.589 1.00 88.36 4  A 1 
ATOM   19 C CB  . ALA A 1 4  ? 3.846  0.744  0.778  1.00 87.84 4  A 1 
ATOM   20 N N   . CYS A 1 5  ? 2.168  -1.457 0.236  1.00 89.84 5  A 1 
ATOM   21 C CA  . CYS A 1 5  ? 1.576  -2.606 -0.460 1.00 89.49 5  A 1 
ATOM   22 C C   . CYS A 1 5  ? 0.187  -2.906 0.066  1.00 89.20 5  A 1 
ATOM   23 O O   . CYS A 1 5  ? -0.716 -3.263 -0.679 1.00 85.59 5  A 1 
ATOM   24 C CB  . CYS A 1 5  ? 2.457  -3.843 -0.275 1.00 87.14 5  A 1 
ATOM   25 S SG  . CYS A 1 5  ? 4.173  -3.592 -0.798 1.00 84.73 5  A 1 
HETATM 26 N N   . UNK A 1 6  ? -0.002 -2.775 1.342  1.00 89.44 6  A 1 
HETATM 27 C CA  . UNK A 1 6  ? -1.303 -3.059 1.944  1.00 88.14 6  A 1 
HETATM 28 C C   . UNK A 1 6  ? -2.392 -2.200 1.333  1.00 88.98 6  A 1 
HETATM 29 O O   . UNK A 1 6  ? -3.560 -2.582 1.314  1.00 86.58 6  A 1 
ATOM   30 N N   . CYS A 1 7  ? -2.054 -1.035 0.834  1.00 87.08 7  A 1 
ATOM   31 C CA  . CYS A 1 7  ? -3.042 -0.146 0.228  1.00 87.05 7  A 1 
ATOM   32 C C   . CYS A 1 7  ? -2.934 -0.130 -1.290 1.00 87.04 7  A 1 
ATOM   33 O O   . CYS A 1 7  ? -3.928 0.031  -1.985 1.00 83.30 7  A 1 
ATOM   34 C CB  . CYS A 1 7  ? -2.865 1.264  0.789  1.00 84.58 7  A 1 
ATOM   35 S SG  . CYS A 1 7  ? -3.410 1.322  2.529  1.00 83.17 7  A 1 
HETATM 36 N N   . UNK A 1 8  ? -1.756 -0.282 -1.827 1.00 85.80 8  A 1 
HETATM 37 C CA  . UNK A 1 8  ? -1.576 -0.294 -3.284 1.00 85.61 8  A 1 
HETATM 38 C C   . UNK A 1 8  ? -2.355 -1.440 -3.910 1.00 86.81 8  A 1 
HETATM 39 O O   . UNK A 1 8  ? -2.594 -2.459 -3.266 1.00 83.96 8  A 1 
ATOM   40 N N   . ALA A 1 9  ? -2.774 -1.251 -5.171 1.00 86.25 9  A 1 
ATOM   41 C CA  . ALA A 1 9  ? -3.522 -2.303 -5.874 1.00 84.97 9  A 1 
ATOM   42 C C   . ALA A 1 9  ? -2.708 -3.593 -5.920 1.00 85.28 9  A 1 
ATOM   43 O O   . ALA A 1 9  ? -3.228 -4.682 -5.687 1.00 81.79 9  A 1 
ATOM   44 C CB  . ALA A 1 9  ? -3.842 -1.840 -7.288 1.00 81.66 9  A 1 
HETATM 45 N N   . UNK A 1 10 ? -1.432 -3.474 -6.251 1.00 85.75 10 A 1 
HETATM 46 C CA  . UNK A 1 10 ? -0.568 -4.654 -6.313 1.00 83.57 10 A 1 
HETATM 47 C C   . UNK A 1 10 ? 0.832  -4.279 -5.862 1.00 84.52 10 A 1 
HETATM 48 O O   . UNK A 1 10 ? 1.291  -3.161 -6.084 1.00 79.42 10 A 1 
ATOM   49 N N   . CYS A 1 11 ? 1.486  -5.241 -5.243 1.00 86.57 11 A 1 
ATOM   50 C CA  . CYS A 1 11 ? 2.840  -4.982 -4.762 1.00 85.32 11 A 1 
ATOM   51 C C   . CYS A 1 11 ? 3.603  -6.294 -4.614 1.00 82.54 11 A 1 
ATOM   52 O O   . CYS A 1 11 ? 3.165  -7.161 -3.871 1.00 78.42 11 A 1 
ATOM   53 C CB  . CYS A 1 11 ? 2.746  -4.272 -3.410 1.00 81.43 11 A 1 
ATOM   54 S SG  . CYS A 1 11 ? 4.334  -3.905 -2.645 1.00 82.03 11 A 1 
ATOM   55 O OXT . CYS A 1 11 ? 4.664  -6.455 -5.257 1.00 80.34 11 A 1 
#
