# 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_alphafold3-public-test
#
_entry.id alphafold3-public-test
#
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 O11 P2"
_chem_comp.formula_weight 443.201
_chem_comp.id             GDP
_chem_comp.mon_nstd_flag  n
_chem_comp.name           "GUANOSINE-5'-DIPHOSPHATE"
_chem_comp.pdbx_smiles    NC1=Nc2n(cnc2C(=O)N1)[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           "RNA 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             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 @ 2025-01-24 14:57:34)"
_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 47.16
_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   L
_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       L
_pdbx_nonpoly_scheme.auth_seq_num  1
_pdbx_nonpoly_scheme.entity_id     1
_pdbx_nonpoly_scheme.mon_id        GDP
_pdbx_nonpoly_scheme.pdb_ins_code  .
_pdbx_nonpoly_scheme.pdb_seq_num   1
_pdbx_nonpoly_scheme.pdb_strand_id L
#
_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        L
#
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    . GDP L 1 . ? -2.385 -3.240 -2.303 1.00 34.27 1 L 1 
HETATM 2  O O1B   . GDP L 1 . ? -3.424 -3.754 -1.365 1.00 38.24 1 L 1 
HETATM 3  O O2B   . GDP L 1 . ? -1.712 -4.348 -3.086 1.00 36.26 1 L 1 
HETATM 4  O O3B   . GDP L 1 . ? -2.867 -2.125 -3.188 1.00 38.60 1 L 1 
HETATM 5  O O3A   . GDP L 1 . ? -1.256 -2.623 -1.385 1.00 50.12 1 L 1 
HETATM 6  P PA    . GDP L 1 . ? -1.430 -1.212 -0.668 1.00 42.22 1 L 1 
HETATM 7  O O1A   . GDP L 1 . ? -2.830 -0.967 -0.336 1.00 47.29 1 L 1 
HETATM 8  O O2A   . GDP L 1 . ? -0.641 -0.196 -1.413 1.00 44.38 1 L 1 
HETATM 9  O "O5'" . GDP L 1 . ? -0.643 -1.464 0.713  1.00 46.05 1 L 1 
HETATM 10 C "C5'" . GDP L 1 . ? -0.846 -2.577 1.504  1.00 46.99 1 L 1 
HETATM 11 C "C4'" . GDP L 1 . ? -0.626 -2.276 2.999  1.00 42.60 1 L 1 
HETATM 12 O "O4'" . GDP L 1 . ? 0.564  -1.456 3.081  1.00 36.69 1 L 1 
HETATM 13 C "C3'" . GDP L 1 . ? -1.820 -1.286 3.364  1.00 44.46 1 L 1 
HETATM 14 O "O3'" . GDP L 1 . ? -2.706 -2.053 4.105  1.00 38.05 1 L 1 
HETATM 15 C "C2'" . GDP L 1 . ? -1.145 -0.269 4.318  1.00 44.10 1 L 1 
HETATM 16 O "O2'" . GDP L 1 . ? -1.171 -0.757 5.610  1.00 38.37 1 L 1 
HETATM 17 C "C1'" . GDP L 1 . ? 0.350  -0.342 3.890  1.00 46.83 1 L 1 
HETATM 18 N N9    . GDP L 1 . ? 0.681  0.870  3.110  1.00 56.44 1 L 1 
HETATM 19 C C8    . GDP L 1 . ? 0.745  1.046  1.743  1.00 55.76 1 L 1 
HETATM 20 N N7    . GDP L 1 . ? 1.081  2.298  1.484  1.00 51.78 1 L 1 
HETATM 21 C C5    . GDP L 1 . ? 1.248  2.911  2.673  1.00 59.16 1 L 1 
HETATM 22 C C6    . GDP L 1 . ? 1.613  4.219  3.028  1.00 56.63 1 L 1 
HETATM 23 O O6    . GDP L 1 . ? 1.869  5.077  2.196  1.00 46.35 1 L 1 
HETATM 24 N N1    . GDP L 1 . ? 1.670  4.467  4.334  1.00 60.66 1 L 1 
HETATM 25 C C2    . GDP L 1 . ? 1.417  3.580  5.276  1.00 58.48 1 L 1 
HETATM 26 N N2    . GDP L 1 . ? 1.510  3.957  6.546  1.00 52.62 1 L 1 
HETATM 27 N N3    . GDP L 1 . ? 1.076  2.338  5.007  1.00 52.59 1 L 1 
HETATM 28 C C4    . GDP L 1 . ? 0.998  2.025  3.709  1.00 54.59 1 L 1 
#
