# 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_narrow-engineer
#
_entry.id narrow-engineer
#
loop_
_atom_type.symbol
C 
N 
O 
#
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
"C4 H7 N O4"   133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O    ? "L-PEPTIDE LINKING" 
"C6 H15 N2 O2" 147.195 LYS y LYSINE          C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" 
"C9 H11 N O2"  165.189 PHE y PHENYLALANINE   c1ccc(cc1)C[C@@H](C(=O)O)N  ? "L-PEPTIDE LINKING" 
"C3 H7 N O3"   105.093 SER y SERINE          C([C@@H](C(=O)O)N)O         ? "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 PHE 1  
1 n ASP 2  
1 n PHE 3  
1 n LYS 4  
1 n SER 5  
1 n UNK 6  
1 n PHE 7  
1 n LYS 8  
1 n UNK 9  
1 n SER 10 
#
_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 @ 2025-08-29 19:21:38)"
_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 91.88
_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 PHE 1  2 92.61 1 1  
A ASP 2  2 91.61 1 2  
A PHE 3  2 93.49 1 3  
A LYS 4  2 91.62 1 4  
A SER 5  2 93.12 1 5  
A UNK 6  2 95.67 1 6  
A PHE 7  2 93.47 1 7  
A LYS 8  2 91.44 1 8  
A UNK 9  2 89.17 1 9  
A SER 10 2 85.26 1 10 
#
_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 PHE . 1  A 1  
A 2  1 n ASP . 2  A 2  
A 3  1 n PHE . 3  A 3  
A 4  1 n LYS . 4  A 4  
A 5  1 n SER . 5  A 5  
A 6  1 n UNK . 6  A 6  
A 7  1 n PHE . 7  A 7  
A 8  1 n LYS . 8  A 8  
A 9  1 n UNK . 9  A 9  
A 10 1 n SER . 10 A 10 
#
_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
ATOM   1  N N   . PHE A 1 1  ? 10.333 1.754  -2.565 1.00 93.80 1  A 1 
ATOM   2  C CA  . PHE A 1 1  ? 8.961  2.268  -2.651 1.00 94.94 1  A 1 
ATOM   3  C C   . PHE A 1 1  ? 7.944  1.137  -2.605 1.00 95.40 1  A 1 
ATOM   4  O O   . PHE A 1 1  ? 7.946  0.271  -3.489 1.00 94.16 1  A 1 
ATOM   5  C CB  . PHE A 1 1  ? 8.789  3.069  -3.941 1.00 93.77 1  A 1 
ATOM   6  C CG  . PHE A 1 1  ? 7.364  3.456  -4.218 1.00 92.63 1  A 1 
ATOM   7  C CD1 . PHE A 1 1  ? 6.728  4.391  -3.432 1.00 92.07 1  A 1 
ATOM   8  C CD2 . PHE A 1 1  ? 6.675  2.876  -5.261 1.00 91.79 1  A 1 
ATOM   9  C CE1 . PHE A 1 1  ? 5.419  4.752  -3.675 1.00 90.30 1  A 1 
ATOM   10 C CE2 . PHE A 1 1  ? 5.363  3.230  -5.511 1.00 90.18 1  A 1 
ATOM   11 C CZ  . PHE A 1 1  ? 4.739  4.166  -4.718 1.00 89.70 1  A 1 
ATOM   12 N N   . ASP A 1 2  ? 7.096  1.143  -1.576 1.00 94.05 2  A 1 
ATOM   13 C CA  . ASP A 1 2  ? 6.066  0.121  -1.431 1.00 94.52 2  A 1 
ATOM   14 C C   . ASP A 1 2  ? 4.714  0.707  -1.847 1.00 95.23 2  A 1 
ATOM   15 O O   . ASP A 1 2  ? 4.055  1.381  -1.060 1.00 93.46 2  A 1 
ATOM   16 C CB  . ASP A 1 2  ? 6.024  -0.382 0.007  1.00 92.07 2  A 1 
ATOM   17 C CG  . ASP A 1 2  ? 5.177  -1.632 0.148  1.00 89.54 2  A 1 
ATOM   18 O OD1 . ASP A 1 2  ? 4.456  -1.982 -0.803 1.00 87.94 2  A 1 
ATOM   19 O OD2 . ASP A 1 2  ? 5.238  -2.260 1.227  1.00 86.04 2  A 1 
ATOM   20 N N   . PHE A 1 3  ? 4.332  0.467  -3.074 1.00 95.48 3  A 1 
ATOM   21 C CA  . PHE A 1 3  ? 3.112  1.006  -3.672 1.00 95.68 3  A 1 
ATOM   22 C C   . PHE A 1 3  ? 1.849  0.645  -2.889 1.00 95.76 3  A 1 
ATOM   23 O O   . PHE A 1 3  ? 1.023  1.511  -2.600 1.00 94.68 3  A 1 
ATOM   24 C CB  . PHE A 1 3  ? 3.005  0.504  -5.115 1.00 95.04 3  A 1 
ATOM   25 C CG  . PHE A 1 3  ? 1.657  0.733  -5.732 1.00 94.18 3  A 1 
ATOM   26 C CD1 . PHE A 1 3  ? 1.197  2.015  -5.955 1.00 92.43 3  A 1 
ATOM   27 C CD2 . PHE A 1 3  ? 0.855  -0.338 -6.088 1.00 92.29 3  A 1 
ATOM   28 C CE1 . PHE A 1 3  ? -0.048 2.230  -6.523 1.00 91.54 3  A 1 
ATOM   29 C CE2 . PHE A 1 3  ? -0.390 -0.132 -6.656 1.00 91.15 3  A 1 
ATOM   30 C CZ  . PHE A 1 3  ? -0.838 1.156  -6.873 1.00 90.15 3  A 1 
ATOM   31 N N   . LYS A 1 4  ? 1.721  -0.614 -2.521 1.00 96.47 4  A 1 
ATOM   32 C CA  . LYS A 1 4  ? 0.511  -1.126 -1.883 1.00 96.22 4  A 1 
ATOM   33 C C   . LYS A 1 4  ? 0.564  -1.057 -0.357 1.00 96.17 4  A 1 
ATOM   34 O O   . LYS A 1 4  ? -0.278 -1.634 0.328  1.00 94.80 4  A 1 
ATOM   35 C CB  . LYS A 1 4  ? 0.251  -2.561 -2.346 1.00 94.92 4  A 1 
ATOM   36 C CG  . LYS A 1 4  ? 0.021  -2.680 -3.838 1.00 91.04 4  A 1 
ATOM   37 C CD  . LYS A 1 4  ? -0.265 -4.113 -4.241 1.00 89.02 4  A 1 
ATOM   38 C CE  . LYS A 1 4  ? -0.487 -4.222 -5.742 1.00 85.74 4  A 1 
ATOM   39 N NZ  . LYS A 1 4  ? -0.740 -5.623 -6.166 1.00 80.19 4  A 1 
ATOM   40 N N   . SER A 1 5  ? 1.535  -0.337 0.169  1.00 95.59 5  A 1 
ATOM   41 C CA  . SER A 1 5  ? 1.671  -0.181 1.614  1.00 95.00 5  A 1 
ATOM   42 C C   . SER A 1 5  ? 0.527  0.653  2.184  1.00 94.95 5  A 1 
ATOM   43 O O   . SER A 1 5  ? 0.032  0.394  3.276  1.00 92.56 5  A 1 
ATOM   44 C CB  . SER A 1 5  ? 3.005  0.471  1.952  1.00 93.11 5  A 1 
ATOM   45 O OG  . SER A 1 5  ? 3.195  0.507  3.342  1.00 87.53 5  A 1 
HETATM 46 N N   . UNK A 1 6  ? 0.113  1.684  1.440  1.00 95.91 6  A 1 
HETATM 47 C CA  . UNK A 1 6  ? -0.986 2.545  1.847  1.00 95.59 6  A 1 
HETATM 48 C C   . UNK A 1 6  ? -2.345 1.912  1.593  1.00 96.22 6  A 1 
HETATM 49 O O   . UNK A 1 6  ? -3.366 2.414  2.056  1.00 94.96 6  A 1 
ATOM   50 N N   . PHE A 1 7  ? -2.363 0.805  0.876  1.00 95.74 7  A 1 
ATOM   51 C CA  . PHE A 1 7  ? -3.599 0.090  0.567  1.00 95.76 7  A 1 
ATOM   52 C C   . PHE A 1 7  ? -3.887 -0.974 1.624  1.00 95.98 7  A 1 
ATOM   53 O O   . PHE A 1 7  ? -3.217 -2.002 1.678  1.00 94.79 7  A 1 
ATOM   54 C CB  . PHE A 1 7  ? -3.491 -0.557 -0.812 1.00 94.89 7  A 1 
ATOM   55 C CG  . PHE A 1 7  ? -4.686 -1.387 -1.183 1.00 93.75 7  A 1 
ATOM   56 C CD1 . PHE A 1 7  ? -5.861 -0.788 -1.592 1.00 92.34 7  A 1 
ATOM   57 C CD2 . PHE A 1 7  ? -4.629 -2.765 -1.122 1.00 92.07 7  A 1 
ATOM   58 C CE1 . PHE A 1 7  ? -6.965 -1.553 -1.935 1.00 91.11 7  A 1 
ATOM   59 C CE2 . PHE A 1 7  ? -5.731 -3.536 -1.461 1.00 91.09 7  A 1 
ATOM   60 C CZ  . PHE A 1 7  ? -6.897 -2.927 -1.869 1.00 90.69 7  A 1 
ATOM   61 N N   . LYS A 1 8  ? -4.875 -0.719 2.471  1.00 96.48 8  A 1 
ATOM   62 C CA  . LYS A 1 8  ? -5.220 -1.644 3.547  1.00 96.28 8  A 1 
ATOM   63 C C   . LYS A 1 8  ? -6.293 -2.630 3.092  1.00 95.83 8  A 1 
ATOM   64 O O   . LYS A 1 8  ? -7.491 -2.392 3.259  1.00 93.53 8  A 1 
ATOM   65 C CB  . LYS A 1 8  ? -5.696 -0.872 4.774  1.00 94.85 8  A 1 
ATOM   66 C CG  . LYS A 1 8  ? -4.640 0.056  5.342  1.00 90.67 8  A 1 
ATOM   67 C CD  . LYS A 1 8  ? -5.154 0.794  6.555  1.00 89.08 8  A 1 
ATOM   68 C CE  . LYS A 1 8  ? -4.089 1.731  7.107  1.00 85.38 8  A 1 
ATOM   69 N NZ  . LYS A 1 8  ? -4.585 2.482  8.291  1.00 80.85 8  A 1 
HETATM 70 N N   . UNK A 1 9  ? -5.836 -3.742 2.518  1.00 92.06 9  A 1 
HETATM 71 C CA  . UNK A 1 9  ? -6.722 -4.805 2.062  1.00 89.73 9  A 1 
HETATM 72 C C   . UNK A 1 9  ? -6.336 -6.134 2.673  1.00 90.12 9  A 1 
HETATM 73 O O   . UNK A 1 9  ? -6.300 -7.147 1.984  1.00 84.76 9  A 1 
ATOM   74 N N   . SER A 1 10 ? -6.047 -6.085 3.976  1.00 91.51 10 A 1 
ATOM   75 C CA  . SER A 1 10 ? -5.599 -7.280 4.689  1.00 89.63 10 A 1 
ATOM   76 C C   . SER A 1 10 ? -6.531 -7.579 5.867  1.00 86.21 10 A 1 
ATOM   77 O O   . SER A 1 10 ? -6.602 -6.763 6.793  1.00 80.36 10 A 1 
ATOM   78 C CB  . SER A 1 10 ? -4.165 -7.096 5.185  1.00 86.53 10 A 1 
ATOM   79 O OG  . SER A 1 10 ? -3.296 -6.782 4.110  1.00 80.06 10 A 1 
ATOM   80 O OXT . SER A 1 10 ? -7.199 -8.626 5.873  1.00 82.49 10 A 1 
#
