# 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_many-vegetable
#
_entry.id many-vegetable
#
loop_
_atom_type.symbol
C  
FE 
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
"C34 H32 Fe N4 O4" 616.487 HEM . "PROTOPORPHYRIN IX CONTAINING FE" Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O HEME NON-POLYMER 
"C18 H34 O2"       282.461 OLA . "OLEIC ACID"                      CCCCCCCC\C=C/CCCCCCCC(=O)O                                                                          ?    NON-POLYMER 
#
_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 
#
loop_
_entity.id
_entity.pdbx_description
_entity.type
1 . non-polymer 
2 . non-polymer 
#
_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 @ 2025-08-18 08:30:25)"
_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 89.70
_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 OLA . 2 80.92 1 1 
B HEM . 2 93.78 1 2 
#
_ma_software_group.group_id    1
_ma_software_group.ordinal_id  1
_ma_software_group.software_id 1
#
loop_
_ma_target_entity.data_id
_ma_target_entity.entity_id
_ma_target_entity.origin
1 1 . 
1 2 . 
#
loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.details
_ma_target_entity_instance.entity_id
A . 1 
B . 2 
#
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_nonpoly_scheme.asym_id
_pdbx_nonpoly_scheme.auth_seq_num
_pdbx_nonpoly_scheme.entity_id
_pdbx_nonpoly_scheme.mon_id
_pdbx_nonpoly_scheme.pdb_ins_code
_pdbx_nonpoly_scheme.pdb_seq_num
_pdbx_nonpoly_scheme.pdb_strand_id
A 1 1 OLA . 1 A 
B 1 2 HEM . 1 B 
#
_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)"
#
loop_
_struct_asym.entity_id
_struct_asym.id
1 A 
2 B 
#
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  C  C1  . OLA A 1 . ? -6.351 0.102  3.546  1.00 75.40 1 A 1 
HETATM 2  O  O1  . OLA A 1 . ? -6.132 -0.953 4.168  1.00 74.28 1 A 1 
HETATM 3  O  O2  . OLA A 1 . ? -7.332 0.214  2.791  1.00 76.65 1 A 1 
HETATM 4  C  C2  . OLA A 1 . ? -5.452 1.264  3.749  1.00 84.25 1 A 1 
HETATM 5  C  C3  . OLA A 1 . ? -4.036 0.897  3.481  1.00 86.41 1 A 1 
HETATM 6  C  C4  . OLA A 1 . ? -3.110 1.966  3.914  1.00 88.90 1 A 1 
HETATM 7  C  C5  . OLA A 1 . ? -1.705 1.547  3.717  1.00 89.57 1 A 1 
HETATM 8  C  C6  . OLA A 1 . ? -0.781 2.511  4.329  1.00 88.84 1 A 1 
HETATM 9  C  C7  . OLA A 1 . ? 0.608  1.987  4.312  1.00 90.31 1 A 1 
HETATM 10 C  C8  . OLA A 1 . ? 1.537  2.924  4.998  1.00 88.70 1 A 1 
HETATM 11 C  C9  . OLA A 1 . ? 2.907  2.339  5.101  1.00 87.39 1 A 1 
HETATM 12 C  C10 . OLA A 1 . ? 3.861  3.274  5.723  1.00 87.72 1 A 1 
HETATM 13 C  C11 . OLA A 1 . ? 5.224  2.655  5.866  1.00 85.16 1 A 1 
HETATM 14 C  C12 . OLA A 1 . ? 6.213  3.660  6.343  1.00 84.28 1 A 1 
HETATM 15 C  C13 . OLA A 1 . ? 7.558  3.029  6.542  1.00 81.69 1 A 1 
HETATM 16 C  C14 . OLA A 1 . ? 8.563  4.046  6.914  1.00 82.13 1 A 1 
HETATM 17 C  C15 . OLA A 1 . ? 9.870  3.407  7.221  1.00 80.46 1 A 1 
HETATM 18 C  C16 . OLA A 1 . ? 10.878 4.448  7.576  1.00 78.76 1 A 1 
HETATM 19 C  C17 . OLA A 1 . ? 12.182 3.814  7.928  1.00 67.22 1 A 1 
HETATM 20 C  C18 . OLA A 1 . ? 13.204 4.813  8.308  1.00 40.34 1 A 1 
HETATM 21 C  CHA . HEM B 2 . ? -1.549 1.091  -1.426 1.00 96.97 1 B 1 
HETATM 22 C  CHB . HEM B 2 . ? -1.721 5.033  1.247  1.00 96.62 1 B 1 
HETATM 23 C  CHC . HEM B 2 . ? 2.998  4.789  1.873  1.00 96.70 1 B 1 
HETATM 24 C  CHD . HEM B 2 . ? 3.145  0.722  -0.600 1.00 97.06 1 B 1 
HETATM 25 C  C1A . HEM B 2 . ? -2.002 2.165  -0.747 1.00 96.66 1 B 1 
HETATM 26 C  C2A . HEM B 2 . ? -3.362 2.549  -0.662 1.00 96.18 1 B 1 
HETATM 27 C  C3A . HEM B 2 . ? -3.414 3.672  0.105  1.00 95.74 1 B 1 
HETATM 28 C  C4A . HEM B 2 . ? -2.083 3.977  0.478  1.00 96.29 1 B 1 
HETATM 29 C  CMA . HEM B 2 . ? -4.652 4.446  0.484  1.00 94.73 1 B 1 
HETATM 30 C  CAA . HEM B 2 . ? -4.523 1.791  -1.268 1.00 92.66 1 B 1 
HETATM 31 C  CBA . HEM B 2 . ? -4.823 0.557  -0.392 1.00 89.12 1 B 1 
HETATM 32 C  CGA . HEM B 2 . ? -5.911 -0.308 -0.968 1.00 88.44 1 B 1 
HETATM 33 O  O1A . HEM B 2 . ? -6.386 -0.042 -2.086 1.00 76.20 1 B 1 
HETATM 34 O  O2A . HEM B 2 . ? -6.292 -1.283 -0.285 1.00 80.74 1 B 1 
HETATM 35 C  C1B . HEM B 2 . ? -0.453 5.320  1.616  1.00 96.60 1 B 1 
HETATM 36 C  C2B . HEM B 2 . ? -0.081 6.465  2.376  1.00 96.40 1 B 1 
HETATM 37 C  C3B . HEM B 2 . ? 1.277  6.394  2.561  1.00 96.39 1 B 1 
HETATM 38 C  C4B . HEM B 2 . ? 1.714  5.208  1.907  1.00 96.98 1 B 1 
HETATM 39 C  CMB . HEM B 2 . ? -1.026 7.524  2.854  1.00 95.24 1 B 1 
HETATM 40 C  CAB . HEM B 2 . ? 2.188  7.309  3.275  1.00 95.77 1 B 1 
HETATM 41 C  CBB . HEM B 2 . ? 1.833  8.011  4.397  1.00 92.48 1 B 1 
HETATM 42 C  C1C . HEM B 2 . ? 3.433  3.655  1.266  1.00 96.79 1 B 1 
HETATM 43 C  C2C . HEM B 2 . ? 4.770  3.206  1.300  1.00 95.97 1 B 1 
HETATM 44 C  C3C . HEM B 2 . ? 4.807  2.040  0.600  1.00 96.34 1 B 1 
HETATM 45 C  C4C . HEM B 2 . ? 3.498  1.793  0.136  1.00 97.25 1 B 1 
HETATM 46 C  CMC . HEM B 2 . ? 5.928  3.895  1.995  1.00 95.91 1 B 1 
HETATM 47 C  CAC . HEM B 2 . ? 5.947  1.134  0.310  1.00 95.27 1 B 1 
HETATM 48 C  CBC . HEM B 2 . ? 7.164  1.561  -0.053 1.00 93.33 1 B 1 
HETATM 49 C  C1D . HEM B 2 . ? 1.897  0.488  -1.072 1.00 97.09 1 B 1 
HETATM 50 C  C2D . HEM B 2 . ? 1.555  -0.602 -1.927 1.00 96.65 1 B 1 
HETATM 51 C  C3D . HEM B 2 . ? 0.185  -0.492 -2.187 1.00 96.96 1 B 1 
HETATM 52 C  C4D . HEM B 2 . ? -0.266 0.666  -1.463 1.00 97.28 1 B 1 
HETATM 53 C  CMD . HEM B 2 . ? 2.488  -1.666 -2.459 1.00 96.04 1 B 1 
HETATM 54 C  CAD . HEM B 2 . ? -0.662 -1.387 -3.063 1.00 94.12 1 B 1 
HETATM 55 C  CBD . HEM B 2 . ? -1.556 -2.293 -2.247 1.00 89.82 1 B 1 
HETATM 56 C  CGD . HEM B 2 . ? -2.403 -3.149 -3.158 1.00 87.24 1 B 1 
HETATM 57 O  O1D . HEM B 2 . ? -2.278 -3.044 -4.386 1.00 77.10 1 B 1 
HETATM 58 O  O2D . HEM B 2 . ? -3.193 -3.940 -2.624 1.00 79.37 1 B 1 
HETATM 59 N  NA  . HEM B 2 . ? -1.251 3.037  -0.044 1.00 97.20 1 B 1 
HETATM 60 N  NB  . HEM B 2 . ? 0.645  4.590  1.349  1.00 97.16 1 B 1 
HETATM 61 N  NC  . HEM B 2 . ? 2.687  2.788  0.565  1.00 97.43 1 B 1 
HETATM 62 N  ND  . HEM B 2 . ? 0.782  1.235  -0.812 1.00 97.21 1 B 1 
HETATM 63 FE FE  . HEM B 2 . ? 0.686  2.902  0.253  1.00 97.22 1 B 1 
#
