# 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_foldify-silver-burbot
#
_entry.id foldify-silver-burbot
#
loop_
_atom_type.symbol
C 
N 
O 
P 
#
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        "C10 H15 N5 O10 P2"
_chem_comp.formula_weight 427.201
_chem_comp.id             ADP
_chem_comp.mon_nstd_flag  .
_chem_comp.name           "ADENOSINE-5'-DIPHOSPHATE"
_chem_comp.pdbx_smiles    Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
_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 (3.0.0 @ 2025-02-05 14:50:07)"
_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 40.87
_ma_qa_metric_global.model_id     1
_ma_qa_metric_global.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        ADP
_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  P PB    . ADP A 1 . ? -5.094 -1.677 1.549  1.00 30.61 1 A 1 
HETATM 2  O O1B   . ADP A 1 . ? -4.617 -2.896 2.253  1.00 34.72 1 A 1 
HETATM 3  O O2B   . ADP A 1 . ? -6.263 -1.019 2.247  1.00 32.71 1 A 1 
HETATM 4  O O3B   . ADP A 1 . ? -5.331 -1.868 0.096  1.00 34.20 1 A 1 
HETATM 5  P PA    . ADP A 1 . ? -2.407 -0.955 1.312  1.00 35.38 1 A 1 
HETATM 6  O O1A   . ADP A 1 . ? -2.257 -2.277 0.746  1.00 43.44 1 A 1 
HETATM 7  O O2A   . ADP A 1 . ? -1.573 -0.531 2.470  1.00 39.99 1 A 1 
HETATM 8  O O3A   . ADP A 1 . ? -3.925 -0.623 1.645  1.00 42.80 1 A 1 
HETATM 9  O "O5'" . ADP A 1 . ? -2.100 0.087  0.126  1.00 40.23 1 A 1 
HETATM 10 C "C5'" . ADP A 1 . ? -2.895 1.170  -0.158 1.00 42.98 1 A 1 
HETATM 11 C "C4'" . ADP A 1 . ? -2.418 1.906  -1.431 1.00 38.45 1 A 1 
HETATM 12 O "O4'" . ADP A 1 . ? -1.180 2.546  -1.068 1.00 31.25 1 A 1 
HETATM 13 C "C3'" . ADP A 1 . ? -1.967 0.718  -2.409 1.00 40.80 1 A 1 
HETATM 14 O "O3'" . ADP A 1 . ? -2.928 0.695  -3.404 1.00 30.96 1 A 1 
HETATM 15 C "C2'" . ADP A 1 . ? -0.653 1.247  -3.030 1.00 34.76 1 A 1 
HETATM 16 O "O2'" . ADP A 1 . ? -0.897 1.919  -4.199 1.00 28.72 1 A 1 
HETATM 17 C "C1'" . ADP A 1 . ? -0.188 2.302  -2.005 1.00 38.18 1 A 1 
HETATM 18 N N9    . ADP A 1 . ? 0.997  1.780  -1.288 1.00 49.54 1 A 1 
HETATM 19 C C8    . ADP A 1 . ? 1.044  0.967  -0.188 1.00 45.15 1 A 1 
HETATM 20 N N7    . ADP A 1 . ? 2.309  0.732  0.131  1.00 43.87 1 A 1 
HETATM 21 C C5    . ADP A 1 . ? 3.070  1.409  -0.752 1.00 53.15 1 A 1 
HETATM 22 C C6    . ADP A 1 . ? 4.444  1.576  -0.936 1.00 49.74 1 A 1 
HETATM 23 N N6    . ADP A 1 . ? 5.338  1.007  -0.143 1.00 46.83 1 A 1 
HETATM 24 N N1    . ADP A 1 . ? 4.830  2.330  -1.928 1.00 55.45 1 A 1 
HETATM 25 C C2    . ADP A 1 . ? 4.025  2.927  -2.743 1.00 45.40 1 A 1 
HETATM 26 N N3    . ADP A 1 . ? 2.715  2.843  -2.666 1.00 43.75 1 A 1 
HETATM 27 C C4    . ADP A 1 . ? 2.243  2.082  -1.665 1.00 50.56 1 A 1 
#
