# 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_honzas-gift
#
_entry.id honzas-gift
#
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" 
"C6 H15 N4 O2"  175.209 ARG y ARGININE        C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" 
"C4 H7 N O4"    133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O         ? "L-PEPTIDE LINKING" 
"C5 H9 N O4"    147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N        ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 LEU y LEUCINE         CC(C)C[C@@H](C(=O)O)N            ? "L-PEPTIDE LINKING" 
"C5 H11 N O2 S" 149.211 MET y METHIONINE      CSCC[C@@H](C(=O)O)N              ? "L-PEPTIDE LINKING" 
"C4 H9 N O3"    119.119 THR y THREONINE       C[C@H]([C@@H](C(=O)O)N)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 THR 1  
1 n GLU 2  
1 n ALA 3  
1 n MET 4  
1 n LEU 5  
1 n GLU 6  
1 n ALA 7  
1 n ASP 8  
1 n GLU 9  
1 n ARG 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 @ 2026-07-28 21:11:38)"
_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 92.96
_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 THR 1  2 94.23 1 1  
A GLU 2  2 90.79 1 2  
A ALA 3  2 96.93 1 3  
A MET 4  2 93.06 1 4  
A LEU 5  2 94.74 1 5  
A GLU 6  2 90.29 1 6  
A ALA 7  2 95.89 1 7  
A ASP 8  2 93.59 1 8  
A GLU 9  2 91.39 1 9  
A ARG 10 2 92.47 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 THR . 1  A 1  
A 2  1 n GLU . 2  A 2  
A 3  1 n ALA . 3  A 3  
A 4  1 n MET . 4  A 4  
A 5  1 n LEU . 5  A 5  
A 6  1 n GLU . 6  A 6  
A 7  1 n ALA . 7  A 7  
A 8  1 n ASP . 8  A 8  
A 9  1 n GLU . 9  A 9  
A 10 1 n ARG . 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   . THR A 1 1  ? -1.044 -5.995 -6.415 1.00 93.19 1  A 1 
ATOM 2  C CA  . THR A 1 1  ? 0.301  -5.474 -6.695 1.00 95.12 1  A 1 
ATOM 3  C C   . THR A 1 1  ? 0.874  -4.764 -5.471 1.00 95.86 1  A 1 
ATOM 4  O O   . THR A 1 1  ? 0.179  -4.577 -4.468 1.00 94.75 1  A 1 
ATOM 5  C CB  . THR A 1 1  ? 0.266  -4.501 -7.887 1.00 94.36 1  A 1 
ATOM 6  O OG1 . THR A 1 1  ? -0.635 -3.437 -7.589 1.00 93.92 1  A 1 
ATOM 7  C CG2 . THR A 1 1  ? -0.223 -5.206 -9.154 1.00 92.38 1  A 1 
ATOM 8  N N   . GLU A 1 2  ? 2.140  -4.392 -5.537 1.00 96.20 2  A 1 
ATOM 9  C CA  . GLU A 1 2  ? 2.794  -3.708 -4.428 1.00 96.97 2  A 1 
ATOM 10 C C   . GLU A 1 2  ? 2.164  -2.343 -4.169 1.00 97.30 2  A 1 
ATOM 11 O O   . GLU A 1 2  ? 2.192  -1.845 -3.041 1.00 96.13 2  A 1 
ATOM 12 C CB  . GLU A 1 2  ? 4.306  -3.573 -4.681 1.00 96.09 2  A 1 
ATOM 13 C CG  . GLU A 1 2  ? 4.692  -3.048 -6.048 1.00 89.46 2  A 1 
ATOM 14 C CD  . GLU A 1 2  ? 4.666  -1.526 -6.100 1.00 84.68 2  A 1 
ATOM 15 O OE1 . GLU A 1 2  ? 3.572  -0.960 -6.284 1.00 80.66 2  A 1 
ATOM 16 O OE2 . GLU A 1 2  ? 5.737  -0.905 -5.961 1.00 79.61 2  A 1 
ATOM 17 N N   . ALA A 1 3  ? 1.592  -1.743 -5.210 1.00 97.00 3  A 1 
ATOM 18 C CA  . ALA A 1 3  ? 0.933  -0.446 -5.100 1.00 97.15 3  A 1 
ATOM 19 C C   . ALA A 1 3  ? -0.278 -0.533 -4.178 1.00 97.45 3  A 1 
ATOM 20 O O   . ALA A 1 3  ? -0.493 0.344  -3.341 1.00 96.42 3  A 1 
ATOM 21 C CB  . ALA A 1 3  ? 0.517  0.054  -6.478 1.00 96.61 3  A 1 
ATOM 22 N N   . MET A 1 4  ? -1.052 -1.584 -4.318 1.00 96.76 4  A 1 
ATOM 23 C CA  . MET A 1 4  ? -2.225 -1.779 -3.474 1.00 96.98 4  A 1 
ATOM 24 C C   . MET A 1 4  ? -1.806 -2.244 -2.080 1.00 97.10 4  A 1 
ATOM 25 O O   . MET A 1 4  ? -2.508 -2.007 -1.100 1.00 96.26 4  A 1 
ATOM 26 C CB  . MET A 1 4  ? -3.192 -2.778 -4.113 1.00 96.36 4  A 1 
ATOM 27 C CG  . MET A 1 4  ? -2.756 -4.232 -3.995 1.00 90.83 4  A 1 
ATOM 28 S SD  . MET A 1 4  ? -4.044 -5.384 -4.486 1.00 88.28 4  A 1 
ATOM 29 C CE  . MET A 1 4  ? -3.295 -6.938 -3.999 1.00 81.88 4  A 1 
ATOM 30 N N   . LEU A 1 5  ? -0.665 -2.881 -2.002 1.00 96.10 5  A 1 
ATOM 31 C CA  . LEU A 1 5  ? -0.159 -3.388 -0.737 1.00 96.22 5  A 1 
ATOM 32 C C   . LEU A 1 5  ? 0.348  -2.247 0.140  1.00 96.67 5  A 1 
ATOM 33 O O   . LEU A 1 5  ? 0.113  -2.226 1.343  1.00 96.18 5  A 1 
ATOM 34 C CB  . LEU A 1 5  ? 0.951  -4.404 -0.991 1.00 95.73 5  A 1 
ATOM 35 C CG  . LEU A 1 5  ? 1.186  -5.376 0.155  1.00 93.49 5  A 1 
ATOM 36 C CD1 . LEU A 1 5  ? -0.047 -6.238 0.387  1.00 91.70 5  A 1 
ATOM 37 C CD2 . LEU A 1 5  ? 2.394  -6.252 -0.129 1.00 91.83 5  A 1 
ATOM 38 N N   . GLU A 1 6  ? 1.031  -1.320 -0.471 1.00 95.06 6  A 1 
ATOM 39 C CA  . GLU A 1 6  ? 1.531  -0.163 0.272  1.00 95.12 6  A 1 
ATOM 40 C C   . GLU A 1 6  ? 0.377  0.752  0.669  1.00 95.47 6  A 1 
ATOM 41 O O   . GLU A 1 6  ? 0.451  1.449  1.683  1.00 94.67 6  A 1 
ATOM 42 C CB  . GLU A 1 6  ? 2.595  0.591  -0.545 1.00 93.96 6  A 1 
ATOM 43 C CG  . GLU A 1 6  ? 2.064  1.548  -1.592 1.00 88.75 6  A 1 
ATOM 44 C CD  . GLU A 1 6  ? 1.740  2.917  -0.994 1.00 85.30 6  A 1 
ATOM 45 O OE1 . GLU A 1 6  ? 2.543  3.436  -0.197 1.00 82.44 6  A 1 
ATOM 46 O OE2 . GLU A 1 6  ? 0.672  3.469  -1.329 1.00 81.81 6  A 1 
ATOM 47 N N   . ALA A 1 7  ? -0.695 0.733  -0.131 1.00 95.75 7  A 1 
ATOM 48 C CA  . ALA A 1 7  ? -1.890 1.514  0.168  1.00 96.09 7  A 1 
ATOM 49 C C   . ALA A 1 7  ? -2.711 0.832  1.256  1.00 96.35 7  A 1 
ATOM 50 O O   . ALA A 1 7  ? -3.500 1.477  1.943  1.00 95.57 7  A 1 
ATOM 51 C CB  . ALA A 1 7  ? -2.720 1.708  -1.090 1.00 95.69 7  A 1 
ATOM 52 N N   . ASP A 1 8  ? -2.508 -0.461 1.414  1.00 96.12 8  A 1 
ATOM 53 C CA  . ASP A 1 8  ? -3.227 -1.253 2.406  1.00 96.41 8  A 1 
ATOM 54 C C   . ASP A 1 8  ? -2.779 -0.906 3.826  1.00 96.68 8  A 1 
ATOM 55 O O   . ASP A 1 8  ? -3.535 -1.071 4.783  1.00 95.71 8  A 1 
ATOM 56 C CB  . ASP A 1 8  ? -3.011 -2.747 2.127  1.00 95.33 8  A 1 
ATOM 57 C CG  . ASP A 1 8  ? -3.675 -3.634 3.156  1.00 91.38 8  A 1 
ATOM 58 O OD1 . ASP A 1 8  ? -4.911 -3.545 3.307  1.00 89.23 8  A 1 
ATOM 59 O OD2 . ASP A 1 8  ? -2.972 -4.428 3.807  1.00 87.85 8  A 1 
ATOM 60 N N   . GLU A 1 9  ? -1.573 -0.446 3.966  1.00 95.65 9  A 1 
ATOM 61 C CA  . GLU A 1 9  ? -1.033 -0.098 5.273  1.00 96.04 9  A 1 
ATOM 62 C C   . GLU A 1 9  ? -1.352 1.343  5.667  1.00 96.37 9  A 1 
ATOM 63 O O   . GLU A 1 9  ? -0.709 1.916  6.543  1.00 94.20 9  A 1 
ATOM 64 C CB  . GLU A 1 9  ? 0.482  -0.323 5.300  1.00 94.65 9  A 1 
ATOM 65 C CG  . GLU A 1 9  ? 1.233  0.457  4.258  1.00 90.72 9  A 1 
ATOM 66 C CD  . GLU A 1 9  ? 2.511  1.046  4.832  1.00 87.82 9  A 1 
ATOM 67 O OE1 . GLU A 1 9  ? 2.428  1.833  5.790  1.00 83.36 9  A 1 
ATOM 68 O OE2 . GLU A 1 9  ? 3.589  0.714  4.322  1.00 83.74 9  A 1 
ATOM 69 N N   . ARG A 1 10 ? -2.346 1.922  5.012  1.00 95.76 10 A 1 
ATOM 70 C CA  . ARG A 1 10 ? -2.756 3.294  5.281  1.00 96.10 10 A 1 
ATOM 71 C C   . ARG A 1 10 ? -4.036 3.308  6.121  1.00 94.34 10 A 1 
ATOM 72 O O   . ARG A 1 10 ? -3.955 3.187  7.358  1.00 91.89 10 A 1 
ATOM 73 C CB  . ARG A 1 10 ? -2.988 4.039  3.959  1.00 94.84 10 A 1 
ATOM 74 C CG  . ARG A 1 10 ? -2.034 5.169  3.685  1.00 94.42 10 A 1 
ATOM 75 C CD  . ARG A 1 10 ? -0.899 4.727  2.785  1.00 92.91 10 A 1 
ATOM 76 N NE  . ARG A 1 10 ? 0.186  4.156  3.582  1.00 91.78 10 A 1 
ATOM 77 C CZ  . ARG A 1 10 ? 1.434  3.985  3.125  1.00 91.24 10 A 1 
ATOM 78 N NH1 . ARG A 1 10 ? 1.745  4.318  1.886  1.00 89.42 10 A 1 
ATOM 79 N NH2 . ARG A 1 10 ? 2.340  3.480  3.918  1.00 86.78 10 A 1 
ATOM 80 O OXT . ARG A 1 10 ? -5.112 3.477  5.556  1.00 90.18 10 A 1 
#
