# 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_mealy-lighter
#
_entry.id mealy-lighter
#
loop_
_atom_type.symbol
C 
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
#
_chem_comp.formula        "C18 H34 O2"
_chem_comp.formula_weight 282.461
_chem_comp.id             OLA
_chem_comp.mon_nstd_flag  .
_chem_comp.name           "OLEIC ACID"
_chem_comp.pdbx_smiles    CCCCCCCC\C=C/CCCCCCCC(=O)O
_chem_comp.pdbx_synonyms  ?
_chem_comp.type           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 
#
_entity.id               1
_entity.pdbx_description .
_entity.type             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 08:31:41)"
_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 28.76
_ma_qa_metric_global.model_id     1
_ma_qa_metric_global.ordinal_id   1
#
_ma_qa_metric_local.label_asym_id A
_ma_qa_metric_local.label_comp_id OLA
_ma_qa_metric_local.label_seq_id  .
_ma_qa_metric_local.metric_id     2
_ma_qa_metric_local.metric_value  28.76
_ma_qa_metric_local.model_id      1
_ma_qa_metric_local.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 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 ?                                                                              
#
_pdbx_nonpoly_scheme.asym_id       A
_pdbx_nonpoly_scheme.auth_seq_num  1
_pdbx_nonpoly_scheme.entity_id     1
_pdbx_nonpoly_scheme.mon_id        OLA
_pdbx_nonpoly_scheme.pdb_ins_code  .
_pdbx_nonpoly_scheme.pdb_seq_num   1
_pdbx_nonpoly_scheme.pdb_strand_id A
#
_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  C C1  . OLA A 1 . ? -7.084 0.586 -2.952 1.00 14.97 1 A 1 
HETATM 2  O O1  . OLA A 1 . ? -6.335 0.626 -3.948 1.00 49.24 1 A 1 
HETATM 3  O O2  . OLA A 1 . ? -8.327 0.392 -3.061 1.00 46.91 1 A 1 
HETATM 4  C C2  . OLA A 1 . ? -6.531 0.824 -1.615 1.00 39.57 1 A 1 
HETATM 5  C C3  . OLA A 1 . ? -5.064 0.543 -1.528 1.00 26.49 1 A 1 
HETATM 6  C C4  . OLA A 1 . ? -4.487 1.003 -0.260 1.00 37.28 1 A 1 
HETATM 7  C C5  . OLA A 1 . ? -3.055 0.660 -0.143 1.00 34.80 1 A 1 
HETATM 8  C C6  . OLA A 1 . ? -2.414 1.369 0.971  1.00 30.80 1 A 1 
HETATM 9  C C7  . OLA A 1 . ? -0.973 0.985 1.122  1.00 29.50 1 A 1 
HETATM 10 C C8  . OLA A 1 . ? -0.257 1.888 2.053  1.00 31.88 1 A 1 
HETATM 11 C C9  . OLA A 1 . ? 1.175  1.525 2.213  1.00 31.87 1 A 1 
HETATM 12 C C10 . OLA A 1 . ? 1.941  2.529 2.928  1.00 38.08 1 A 1 
HETATM 13 C C11 . OLA A 1 . ? 3.364  2.173 3.117  1.00 27.70 1 A 1 
HETATM 14 C C12 . OLA A 1 . ? 4.148  3.315 3.664  1.00 32.92 1 A 1 
HETATM 15 C C13 . OLA A 1 . ? 5.587  2.946 3.949  1.00 17.06 1 A 1 
HETATM 16 C C14 . OLA A 1 . ? 6.392  4.120 4.404  1.00 11.88 1 A 1 
HETATM 17 C C15 . OLA A 1 . ? 7.773  3.728 4.817  1.00 16.83 1 A 1 
HETATM 18 C C16 . OLA A 1 . ? 8.568  4.923 5.247  1.00 23.31 1 A 1 
HETATM 19 C C17 . OLA A 1 . ? 9.917  4.530 5.722  1.00 20.13 1 A 1 
HETATM 20 C C18 . OLA A 1 . ? 10.725 5.700 6.171  1.00 13.98 1 A 1 
#
