# 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_spkb15371 # _entry.id spkb15371 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "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 ASN 2 1 n SER 3 1 n LEU 4 1 n LEU 5 1 n PHE 6 1 n LEU 7 1 n ALA 8 1 n LEU 9 1 n VAL 10 1 n GLY 11 1 n ALA 12 1 n ALA 13 1 n VAL 14 1 n ALA 15 # _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 @ 2025-07-07 16:11:43)" _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 94.65 _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 84.14 1 1 A ASN 2 2 91.62 1 2 A SER 3 2 96.22 1 3 A LEU 4 2 95.80 1 4 A LEU 5 2 95.05 1 5 A PHE 6 2 94.91 1 6 A LEU 7 2 95.90 1 7 A ALA 8 2 97.69 1 8 A LEU 9 2 95.60 1 9 A VAL 10 2 97.06 1 10 A GLY 11 2 97.91 1 11 A ALA 12 2 97.71 1 12 A ALA 13 2 97.76 1 13 A VAL 14 2 95.30 1 14 A ALA 15 2 92.30 1 15 # _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 ASN . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 # _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 ? 3.205 9.961 -0.221 1.00 87.13 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.642 8.620 0.038 1.00 89.81 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.633 8.670 1.182 1.00 90.43 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.721 9.518 2.065 1.00 89.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.758 7.633 0.387 1.00 84.79 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.531 8.024 1.634 1.00 81.91 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.959 6.966 1.926 1.00 79.23 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.092 7.640 0.732 1.00 70.36 1 A 1 ATOM 9 N N . ASN A 1 2 ? 0.685 7.761 1.162 1.00 92.54 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -0.351 7.707 2.189 1.00 94.73 2 A 1 ATOM 11 C C . ASN A 1 2 ? -0.845 6.274 2.383 1.00 95.94 2 A 1 ATOM 12 O O . ASN A 1 2 ? -0.214 5.315 1.930 1.00 95.44 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -1.503 8.633 1.789 1.00 92.27 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -2.132 8.215 0.471 1.00 89.20 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -1.626 7.369 -0.234 1.00 88.14 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -3.258 8.833 0.149 1.00 84.74 2 A 1 ATOM 17 N N . SER A 1 3 ? -1.991 6.136 3.061 1.00 96.77 3 A 1 ATOM 18 C CA . SER A 1 3 ? -2.575 4.823 3.337 1.00 97.37 3 A 1 ATOM 19 C C . SER A 1 3 ? -2.946 4.083 2.054 1.00 97.94 3 A 1 ATOM 20 O O . SER A 1 3 ? -2.770 2.869 1.959 1.00 97.07 3 A 1 ATOM 21 C CB . SER A 1 3 ? -3.813 4.980 4.215 1.00 96.30 3 A 1 ATOM 22 O OG . SER A 1 3 ? -3.481 5.637 5.425 1.00 91.88 3 A 1 ATOM 23 N N . LEU A 1 4 ? -3.460 4.813 1.065 1.00 97.04 4 A 1 ATOM 24 C CA . LEU A 1 4 ? -3.867 4.214 -0.207 1.00 97.46 4 A 1 ATOM 25 C C . LEU A 1 4 ? -2.695 3.514 -0.889 1.00 97.82 4 A 1 ATOM 26 O O . LEU A 1 4 ? -2.809 2.361 -1.314 1.00 97.44 4 A 1 ATOM 27 C CB . LEU A 1 4 ? -4.444 5.294 -1.128 1.00 97.23 4 A 1 ATOM 28 C CG . LEU A 1 4 ? -5.874 5.695 -0.778 1.00 95.15 4 A 1 ATOM 29 C CD1 . LEU A 1 4 ? -6.277 6.940 -1.545 1.00 92.41 4 A 1 ATOM 30 C CD2 . LEU A 1 4 ? -6.831 4.551 -1.091 1.00 91.83 4 A 1 ATOM 31 N N . LEU A 1 5 ? -1.576 4.206 -0.993 1.00 96.95 5 A 1 ATOM 32 C CA . LEU A 1 5 ? -0.383 3.638 -1.622 1.00 97.14 5 A 1 ATOM 33 C C . LEU A 1 5 ? 0.129 2.438 -0.830 1.00 97.55 5 A 1 ATOM 34 O O . LEU A 1 5 ? 0.529 1.422 -1.403 1.00 97.40 5 A 1 ATOM 35 C CB . LEU A 1 5 ? 0.706 4.705 -1.722 1.00 96.76 5 A 1 ATOM 36 C CG . LEU A 1 5 ? 0.553 5.615 -2.938 1.00 93.18 5 A 1 ATOM 37 C CD1 . LEU A 1 5 ? 1.453 6.833 -2.810 1.00 90.94 5 A 1 ATOM 38 C CD2 . LEU A 1 5 ? 0.885 4.852 -4.212 1.00 90.51 5 A 1 ATOM 39 N N . PHE A 1 6 ? 0.110 2.562 0.484 1.00 96.81 6 A 1 ATOM 40 C CA . PHE A 1 6 ? 0.558 1.482 1.363 1.00 96.99 6 A 1 ATOM 41 C C . PHE A 1 6 ? -0.305 0.236 1.169 1.00 97.63 6 A 1 ATOM 42 O O . PHE A 1 6 ? 0.214 -0.878 1.048 1.00 97.51 6 A 1 ATOM 43 C CB . PHE A 1 6 ? 0.494 1.947 2.817 1.00 96.52 6 A 1 ATOM 44 C CG . PHE A 1 6 ? 1.012 0.907 3.776 1.00 95.01 6 A 1 ATOM 45 C CD1 . PHE A 1 6 ? 2.360 0.591 3.802 1.00 93.06 6 A 1 ATOM 46 C CD2 . PHE A 1 6 ? 0.148 0.259 4.642 1.00 93.18 6 A 1 ATOM 47 C CE1 . PHE A 1 6 ? 2.845 -0.368 4.679 1.00 92.71 6 A 1 ATOM 48 C CE2 . PHE A 1 6 ? 0.629 -0.705 5.523 1.00 92.10 6 A 1 ATOM 49 C CZ . PHE A 1 6 ? 1.978 -1.018 5.541 1.00 92.52 6 A 1 ATOM 50 N N . LEU A 1 7 ? -1.621 0.429 1.127 1.00 97.48 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -2.554 -0.684 0.945 1.00 97.66 7 A 1 ATOM 52 C C . LEU A 1 7 ? -2.324 -1.374 -0.395 1.00 98.14 7 A 1 ATOM 53 O O . LEU A 1 7 ? -2.348 -2.602 -0.489 1.00 98.09 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -4.005 -0.181 1.035 1.00 97.18 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -4.704 -0.503 2.358 1.00 93.21 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -4.835 -2.003 2.542 1.00 92.69 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -3.957 0.122 3.522 1.00 92.75 7 A 1 ATOM 58 N N . ALA A 1 8 ? -2.113 -0.580 -1.436 1.00 97.49 8 A 1 ATOM 59 C CA . ALA A 1 8 ? -1.870 -1.121 -2.771 1.00 97.71 8 A 1 ATOM 60 C C . ALA A 1 8 ? -0.609 -1.983 -2.783 1.00 98.09 8 A 1 ATOM 61 O O . ALA A 1 8 ? -0.585 -3.056 -3.390 1.00 97.76 8 A 1 ATOM 62 C CB . ALA A 1 8 ? -1.739 0.022 -3.772 1.00 97.40 8 A 1 ATOM 63 N N . LEU A 1 9 ? 0.416 -1.511 -2.110 1.00 97.49 9 A 1 ATOM 64 C CA . LEU A 1 9 ? 1.682 -2.242 -2.041 1.00 97.64 9 A 1 ATOM 65 C C . LEU A 1 9 ? 1.505 -3.565 -1.303 1.00 98.05 9 A 1 ATOM 66 O O . LEU A 1 9 ? 1.992 -4.607 -1.747 1.00 97.89 9 A 1 ATOM 67 C CB . LEU A 1 9 ? 2.731 -1.388 -1.326 1.00 97.14 9 A 1 ATOM 68 C CG . LEU A 1 9 ? 4.127 -2.004 -1.333 1.00 92.75 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? 4.733 -1.948 -2.727 1.00 92.03 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? 5.027 -1.280 -0.342 1.00 91.84 9 A 1 ATOM 71 N N . VAL A 1 10 ? 0.808 -3.528 -0.183 1.00 97.64 10 A 1 ATOM 72 C CA . VAL A 1 10 ? 0.561 -4.729 0.616 1.00 97.76 10 A 1 ATOM 73 C C . VAL A 1 10 ? -0.249 -5.743 -0.182 1.00 98.04 10 A 1 ATOM 74 O O . VAL A 1 10 ? 0.054 -6.939 -0.180 1.00 97.81 10 A 1 ATOM 75 C CB . VAL A 1 10 ? -0.178 -4.378 1.918 1.00 97.12 10 A 1 ATOM 76 C CG1 . VAL A 1 10 ? -0.535 -5.645 2.689 1.00 95.36 10 A 1 ATOM 77 C CG2 . VAL A 1 10 ? 0.681 -3.467 2.784 1.00 95.70 10 A 1 ATOM 78 N N . GLY A 1 11 ? -1.282 -5.269 -0.863 1.00 97.71 11 A 1 ATOM 79 C CA . GLY A 1 11 ? -2.126 -6.149 -1.666 1.00 97.80 11 A 1 ATOM 80 C C . GLY A 1 11 ? -1.339 -6.827 -2.768 1.00 98.17 11 A 1 ATOM 81 O O . GLY A 1 11 ? -1.516 -8.018 -3.035 1.00 97.96 11 A 1 ATOM 82 N N . ALA A 1 12 ? -0.461 -6.082 -3.417 1.00 97.84 12 A 1 ATOM 83 C CA . ALA A 1 12 ? 0.370 -6.622 -4.491 1.00 97.92 12 A 1 ATOM 84 C C . ALA A 1 12 ? 1.315 -7.693 -3.960 1.00 98.20 12 A 1 ATOM 85 O O . ALA A 1 12 ? 1.541 -8.713 -4.613 1.00 97.37 12 A 1 ATOM 86 C CB . ALA A 1 12 ? 1.167 -5.501 -5.146 1.00 97.22 12 A 1 ATOM 87 N N . ALA A 1 13 ? 1.865 -7.469 -2.777 1.00 98.03 13 A 1 ATOM 88 C CA . ALA A 1 13 ? 2.786 -8.419 -2.159 1.00 97.96 13 A 1 ATOM 89 C C . ALA A 1 13 ? 2.072 -9.714 -1.785 1.00 98.11 13 A 1 ATOM 90 O O . ALA A 1 13 ? 2.629 -10.805 -1.927 1.00 97.31 13 A 1 ATOM 91 C CB . ALA A 1 13 ? 3.421 -7.799 -0.919 1.00 97.37 13 A 1 ATOM 92 N N . VAL A 1 14 ? 0.848 -9.598 -1.294 1.00 97.54 14 A 1 ATOM 93 C CA . VAL A 1 14 ? 0.056 -10.760 -0.893 1.00 97.42 14 A 1 ATOM 94 C C . VAL A 1 14 ? -0.339 -11.594 -2.099 1.00 97.65 14 A 1 ATOM 95 O O . VAL A 1 14 ? -0.270 -12.833 -2.066 1.00 96.57 14 A 1 ATOM 96 C CB . VAL A 1 14 ? -1.206 -10.329 -0.126 1.00 95.67 14 A 1 ATOM 97 C CG1 . VAL A 1 14 ? -2.088 -11.537 0.168 1.00 91.20 14 A 1 ATOM 98 C CG2 . VAL A 1 14 ? -0.826 -9.637 1.172 1.00 91.03 14 A 1 ATOM 99 N N . ALA A 1 15 ? -0.781 -10.927 -3.160 1.00 96.21 15 A 1 ATOM 100 C CA . ALA A 1 15 ? -1.215 -11.604 -4.380 1.00 95.50 15 A 1 ATOM 101 C C . ALA A 1 15 ? -0.006 -12.102 -5.162 1.00 94.71 15 A 1 ATOM 102 O O . ALA A 1 15 ? 0.215 -13.332 -5.221 1.00 91.01 15 A 1 ATOM 103 C CB . ALA A 1 15 ? -2.064 -10.665 -5.230 1.00 92.28 15 A 1 ATOM 104 O OXT . ALA A 1 15 ? 0.719 -11.264 -5.696 1.00 84.11 15 A 1 #