# 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_980 # _entry.id 980 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "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 MET 1 1 n LEU 2 1 n LEU 3 1 n SER 4 1 n VAL 5 1 n PRO 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n GLY 10 1 n LEU 11 1 n LEU 12 1 n GLY 13 1 n LEU 14 1 n ALA 15 1 n VAL 16 1 n ALA 17 # _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 @ 2025-05-29 17:39:36)" _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 90.98 _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 MET 1 2 80.27 1 1 A LEU 2 2 84.34 1 2 A LEU 3 2 87.33 1 3 A SER 4 2 91.60 1 4 A VAL 5 2 91.85 1 5 A PRO 6 2 94.10 1 6 A LEU 7 2 92.19 1 7 A LEU 8 2 93.30 1 8 A LEU 9 2 93.06 1 9 A GLY 10 2 94.97 1 10 A LEU 11 2 94.30 1 11 A LEU 12 2 93.19 1 12 A GLY 13 2 95.76 1 13 A LEU 14 2 92.03 1 14 A ALA 15 2 95.85 1 15 A VAL 16 2 91.81 1 16 A ALA 17 2 86.60 1 17 # _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 MET . 1 A 1 A 2 1 n LEU . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ALA . 17 A 17 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _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 . MET A 1 1 ? -4.622 7.115 10.071 1.00 85.05 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.270 6.524 10.100 1.00 87.23 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.330 5.030 9.796 1.00 89.35 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.584 4.527 8.957 1.00 86.70 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.614 6.751 11.468 1.00 79.99 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.394 8.230 11.766 1.00 75.04 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.678 8.504 13.395 1.00 73.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.586 10.286 13.393 1.00 65.15 1 A 1 ATOM 9 N N . LEU A 1 2 ? -4.227 4.326 10.471 1.00 84.76 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -4.386 2.887 10.263 1.00 89.05 2 A 1 ATOM 11 C C . LEU A 1 2 ? -4.938 2.585 8.876 1.00 92.34 2 A 1 ATOM 12 O O . LEU A 1 2 ? -4.772 1.482 8.356 1.00 89.20 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -5.314 2.296 11.331 1.00 85.23 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -4.756 2.345 12.755 1.00 80.63 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -5.820 1.894 13.747 1.00 78.96 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -3.517 1.466 12.876 1.00 74.52 2 A 1 ATOM 17 N N . LEU A 1 3 ? -5.594 3.563 8.266 1.00 90.21 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -6.166 3.395 6.930 1.00 90.76 3 A 1 ATOM 19 C C . LEU A 1 3 ? -5.145 3.699 5.841 1.00 93.01 3 A 1 ATOM 20 O O . LEU A 1 3 ? -5.171 3.094 4.768 1.00 90.96 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -7.388 4.307 6.768 1.00 88.48 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -8.552 3.960 7.701 1.00 84.98 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -9.644 5.018 7.586 1.00 81.50 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -9.115 2.588 7.372 1.00 78.71 3 A 1 ATOM 25 N N . SER A 1 4 ? -4.240 4.630 6.097 1.00 91.91 4 A 1 ATOM 26 C CA . SER A 1 4 ? -3.251 5.048 5.105 1.00 93.70 4 A 1 ATOM 27 C C . SER A 1 4 ? -2.179 3.989 4.865 1.00 94.74 4 A 1 ATOM 28 O O . SER A 1 4 ? -1.816 3.716 3.717 1.00 93.11 4 A 1 ATOM 29 C CB . SER A 1 4 ? -2.594 6.360 5.538 1.00 91.63 4 A 1 ATOM 30 O OG . SER A 1 4 ? -1.975 6.213 6.791 1.00 84.49 4 A 1 ATOM 31 N N . VAL A 1 5 ? -1.666 3.375 5.939 1.00 93.01 5 A 1 ATOM 32 C CA . VAL A 1 5 ? -0.601 2.369 5.823 1.00 93.79 5 A 1 ATOM 33 C C . VAL A 1 5 ? -1.024 1.149 4.995 1.00 94.63 5 A 1 ATOM 34 O O . VAL A 1 5 ? -0.365 0.823 4.002 1.00 93.65 5 A 1 ATOM 35 C CB . VAL A 1 5 ? -0.102 1.937 7.216 1.00 92.44 5 A 1 ATOM 36 C CG1 . VAL A 1 5 ? 0.931 0.823 7.096 1.00 87.49 5 A 1 ATOM 37 C CG2 . VAL A 1 5 ? 0.496 3.128 7.950 1.00 87.93 5 A 1 ATOM 38 N N . PRO A 1 6 ? -2.105 0.447 5.370 1.00 94.78 6 A 1 ATOM 39 C CA . PRO A 1 6 ? -2.536 -0.731 4.601 1.00 94.74 6 A 1 ATOM 40 C C . PRO A 1 6 ? -2.981 -0.383 3.187 1.00 95.38 6 A 1 ATOM 41 O O . PRO A 1 6 ? -2.777 -1.175 2.263 1.00 94.31 6 A 1 ATOM 42 C CB . PRO A 1 6 ? -3.700 -1.303 5.422 1.00 93.23 6 A 1 ATOM 43 C CG . PRO A 1 6 ? -4.185 -0.160 6.242 1.00 92.35 6 A 1 ATOM 44 C CD . PRO A 1 6 ? -2.969 0.682 6.527 1.00 93.89 6 A 1 ATOM 45 N N . LEU A 1 7 ? -3.563 0.792 2.994 1.00 94.39 7 A 1 ATOM 46 C CA . LEU A 1 7 ? -4.001 1.221 1.668 1.00 94.70 7 A 1 ATOM 47 C C . LEU A 1 7 ? -2.807 1.434 0.746 1.00 95.75 7 A 1 ATOM 48 O O . LEU A 1 7 ? -2.831 1.022 -0.415 1.00 95.02 7 A 1 ATOM 49 C CB . LEU A 1 7 ? -4.822 2.506 1.773 1.00 93.96 7 A 1 ATOM 50 C CG . LEU A 1 7 ? -6.224 2.295 2.354 1.00 89.93 7 A 1 ATOM 51 C CD1 . LEU A 1 7 ? -6.893 3.639 2.602 1.00 87.43 7 A 1 ATOM 52 C CD2 . LEU A 1 7 ? -7.072 1.452 1.413 1.00 86.34 7 A 1 ATOM 53 N N . LEU A 1 8 ? -1.751 2.052 1.261 1.00 94.85 8 A 1 ATOM 54 C CA . LEU A 1 8 ? -0.543 2.290 0.477 1.00 95.15 8 A 1 ATOM 55 C C . LEU A 1 8 ? 0.106 0.972 0.069 1.00 95.84 8 A 1 ATOM 56 O O . LEU A 1 8 ? 0.525 0.799 -1.078 1.00 95.43 8 A 1 ATOM 57 C CB . LEU A 1 8 ? 0.449 3.135 1.283 1.00 94.83 8 A 1 ATOM 58 C CG . LEU A 1 8 ? 0.030 4.595 1.444 1.00 91.76 8 A 1 ATOM 59 C CD1 . LEU A 1 8 ? 0.926 5.300 2.452 1.00 89.76 8 A 1 ATOM 60 C CD2 . LEU A 1 8 ? 0.086 5.316 0.101 1.00 88.77 8 A 1 ATOM 61 N N . LEU A 1 9 ? 0.174 0.026 1.002 1.00 94.86 9 A 1 ATOM 62 C CA . LEU A 1 9 ? 0.746 -1.288 0.723 1.00 94.96 9 A 1 ATOM 63 C C . LEU A 1 9 ? -0.114 -2.041 -0.289 1.00 95.64 9 A 1 ATOM 64 O O . LEU A 1 9 ? 0.408 -2.759 -1.146 1.00 94.84 9 A 1 ATOM 65 C CB . LEU A 1 9 ? 0.862 -2.094 2.019 1.00 94.18 9 A 1 ATOM 66 C CG . LEU A 1 9 ? 1.882 -1.530 3.012 1.00 91.38 9 A 1 ATOM 67 C CD1 . LEU A 1 9 ? 1.810 -2.286 4.332 1.00 89.75 9 A 1 ATOM 68 C CD2 . LEU A 1 9 ? 3.290 -1.607 2.437 1.00 88.88 9 A 1 ATOM 69 N N . GLY A 1 10 ? -1.426 -1.872 -0.198 1.00 94.76 10 A 1 ATOM 70 C CA . GLY A 1 10 ? -2.344 -2.506 -1.136 1.00 94.61 10 A 1 ATOM 71 C C . GLY A 1 10 ? -2.144 -2.002 -2.552 1.00 95.71 10 A 1 ATOM 72 O O . GLY A 1 10 ? -2.126 -2.789 -3.505 1.00 94.80 10 A 1 ATOM 73 N N . LEU A 1 11 ? -1.965 -0.692 -2.699 1.00 95.57 11 A 1 ATOM 74 C CA . LEU A 1 11 ? -1.730 -0.089 -4.007 1.00 95.96 11 A 1 ATOM 75 C C . LEU A 1 11 ? -0.421 -0.589 -4.603 1.00 96.48 11 A 1 ATOM 76 O O . LEU A 1 11 ? -0.324 -0.825 -5.809 1.00 95.42 11 A 1 ATOM 77 C CB . LEU A 1 11 ? -1.709 1.447 -3.896 1.00 95.33 11 A 1 ATOM 78 C CG . LEU A 1 11 ? -3.063 2.126 -4.148 1.00 93.63 11 A 1 ATOM 79 C CD1 . LEU A 1 11 ? -3.483 1.932 -5.596 1.00 91.54 11 A 1 ATOM 80 C CD2 . LEU A 1 11 ? -4.131 1.587 -3.214 1.00 90.47 11 A 1 ATOM 81 N N . LEU A 1 12 ? 0.597 -0.757 -3.750 1.00 95.54 12 A 1 ATOM 82 C CA . LEU A 1 12 ? 1.894 -1.257 -4.197 1.00 95.16 12 A 1 ATOM 83 C C . LEU A 1 12 ? 1.758 -2.672 -4.748 1.00 95.46 12 A 1 ATOM 84 O O . LEU A 1 12 ? 2.332 -3.004 -5.787 1.00 93.59 12 A 1 ATOM 85 C CB . LEU A 1 12 ? 2.893 -1.240 -3.033 1.00 94.35 12 A 1 ATOM 86 C CG . LEU A 1 12 ? 4.306 -1.684 -3.406 1.00 92.56 12 A 1 ATOM 87 C CD1 . LEU A 1 12 ? 4.933 -0.719 -4.397 1.00 90.01 12 A 1 ATOM 88 C CD2 . LEU A 1 12 ? 5.165 -1.792 -2.152 1.00 88.86 12 A 1 ATOM 89 N N . GLY A 1 13 ? 1.004 -3.514 -4.053 1.00 95.75 13 A 1 ATOM 90 C CA . GLY A 1 13 ? 0.788 -4.885 -4.500 1.00 95.60 13 A 1 ATOM 91 C C . GLY A 1 13 ? -0.009 -4.947 -5.788 1.00 96.35 13 A 1 ATOM 92 O O . GLY A 1 13 ? 0.305 -5.729 -6.691 1.00 95.35 13 A 1 ATOM 93 N N . LEU A 1 14 ? -1.030 -4.115 -5.889 1.00 95.23 14 A 1 ATOM 94 C CA . LEU A 1 14 ? -1.863 -4.068 -7.087 1.00 95.20 14 A 1 ATOM 95 C C . LEU A 1 14 ? -1.075 -3.561 -8.285 1.00 95.55 14 A 1 ATOM 96 O O . LEU A 1 14 ? -1.310 -3.989 -9.416 1.00 93.29 14 A 1 ATOM 97 C CB . LEU A 1 14 ? -3.074 -3.169 -6.847 1.00 93.73 14 A 1 ATOM 98 C CG . LEU A 1 14 ? -4.083 -3.742 -5.852 1.00 90.38 14 A 1 ATOM 99 C CD1 . LEU A 1 14 ? -5.152 -2.711 -5.534 1.00 87.60 14 A 1 ATOM 100 C CD2 . LEU A 1 14 ? -4.718 -5.012 -6.405 1.00 85.29 14 A 1 ATOM 101 N N . ALA A 1 15 ? -0.125 -2.659 -8.045 1.00 96.43 15 A 1 ATOM 102 C CA . ALA A 1 15 ? 0.709 -2.112 -9.113 1.00 96.22 15 A 1 ATOM 103 C C . ALA A 1 15 ? 1.580 -3.198 -9.731 1.00 96.49 15 A 1 ATOM 104 O O . ALA A 1 15 ? 1.814 -3.208 -10.942 1.00 95.04 15 A 1 ATOM 105 C CB . ALA A 1 15 ? 1.586 -0.982 -8.570 1.00 95.08 15 A 1 ATOM 106 N N . VAL A 1 16 ? 2.084 -4.121 -8.898 1.00 94.91 16 A 1 ATOM 107 C CA . VAL A 1 16 ? 2.918 -5.224 -9.371 1.00 94.66 16 A 1 ATOM 108 C C . VAL A 1 16 ? 2.068 -6.298 -10.036 1.00 94.84 16 A 1 ATOM 109 O O . VAL A 1 16 ? 2.470 -6.896 -11.042 1.00 92.50 16 A 1 ATOM 110 C CB . VAL A 1 16 ? 3.728 -5.839 -8.217 1.00 91.94 16 A 1 ATOM 111 C CG1 . VAL A 1 16 ? 4.544 -7.034 -8.699 1.00 86.79 16 A 1 ATOM 112 C CG2 . VAL A 1 16 ? 4.650 -4.796 -7.604 1.00 87.04 16 A 1 ATOM 113 N N . ALA A 1 17 ? 0.895 -6.545 -9.473 1.00 92.34 17 A 1 ATOM 114 C CA . ALA A 1 17 ? -0.024 -7.557 -9.987 1.00 90.67 17 A 1 ATOM 115 C C . ALA A 1 17 ? -0.771 -7.015 -11.207 1.00 89.03 17 A 1 ATOM 116 O O . ALA A 1 17 ? -0.236 -7.096 -12.324 1.00 84.51 17 A 1 ATOM 117 C CB . ALA A 1 17 ? -0.996 -7.993 -8.896 1.00 85.35 17 A 1 ATOM 118 O OXT . ALA A 1 17 ? -1.859 -6.491 -11.053 1.00 77.71 17 A 1 #