# 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_spkb32762 # _entry.id spkb32762 # 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 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 ALA 2 1 n LEU 3 1 n VAL 4 1 n THR 5 1 n PHE 6 1 n LEU 7 1 n PHE 8 1 n ILE 9 1 n ALA 10 1 n THR 11 1 n LEU 12 1 n GLY 13 1 n ALA 14 1 n MET 15 1 n THR 16 1 n SER 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 @ 2025-07-11 22:49:37)" _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 95.44 _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 88.97 1 1 A ALA 2 2 98.12 1 2 A LEU 3 2 96.84 1 3 A VAL 4 2 98.52 1 4 A THR 5 2 98.06 1 5 A PHE 6 2 96.96 1 6 A LEU 7 2 96.88 1 7 A PHE 8 2 96.56 1 8 A ILE 9 2 97.63 1 9 A ALA 10 2 98.60 1 10 A THR 11 2 97.49 1 11 A LEU 12 2 96.67 1 12 A GLY 13 2 98.13 1 13 A ALA 14 2 98.01 1 14 A MET 15 2 92.59 1 15 A THR 16 2 92.57 1 16 A SER 17 2 82.30 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 ALA . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n MET . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n SER . 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 ? -6.302 14.015 0.760 1.00 94.12 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.008 13.325 0.895 1.00 95.09 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.073 11.912 0.310 1.00 95.24 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.076 10.921 1.039 1.00 93.25 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.593 13.244 2.365 1.00 90.83 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.219 14.595 2.943 1.00 84.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.632 14.473 4.637 1.00 83.49 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.092 16.157 4.911 1.00 74.93 1 A 1 ATOM 9 N N . ALA A 1 2 ? -5.123 11.822 -1.007 1.00 97.55 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -5.200 10.530 -1.687 1.00 98.32 2 A 1 ATOM 11 C C . ALA A 1 2 ? -3.814 9.921 -1.892 1.00 98.65 2 A 1 ATOM 12 O O . ALA A 1 2 ? -3.631 8.712 -1.768 1.00 98.34 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -5.910 10.694 -3.029 1.00 97.76 2 A 1 ATOM 14 N N . LEU A 1 3 ? -2.834 10.761 -2.200 1.00 98.56 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -1.458 10.310 -2.421 1.00 98.63 3 A 1 ATOM 16 C C . LEU A 1 3 ? -0.850 9.726 -1.149 1.00 98.76 3 A 1 ATOM 17 O O . LEU A 1 3 ? -0.141 8.723 -1.189 1.00 98.62 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -0.598 11.472 -2.923 1.00 98.45 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -0.928 11.947 -4.335 1.00 95.19 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -0.263 13.284 -4.620 1.00 93.37 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -0.484 10.914 -5.360 1.00 93.15 3 A 1 ATOM 22 N N . VAL A 1 4 ? -1.135 10.351 -0.016 1.00 98.82 4 A 1 ATOM 23 C CA . VAL A 1 4 ? -0.623 9.897 1.281 1.00 98.83 4 A 1 ATOM 24 C C . VAL A 1 4 ? -1.209 8.539 1.647 1.00 98.85 4 A 1 ATOM 25 O O . VAL A 1 4 ? -0.503 7.653 2.130 1.00 98.75 4 A 1 ATOM 26 C CB . VAL A 1 4 ? -0.939 10.917 2.389 1.00 98.70 4 A 1 ATOM 27 C CG1 . VAL A 1 4 ? -0.397 10.450 3.731 1.00 97.86 4 A 1 ATOM 28 C CG2 . VAL A 1 4 ? -0.364 12.279 2.039 1.00 97.83 4 A 1 ATOM 29 N N . THR A 1 5 ? -2.506 8.368 1.403 1.00 98.77 5 A 1 ATOM 30 C CA . THR A 1 5 ? -3.197 7.114 1.700 1.00 98.74 5 A 1 ATOM 31 C C . THR A 1 5 ? -2.638 5.977 0.851 1.00 98.77 5 A 1 ATOM 32 O O . THR A 1 5 ? -2.381 4.883 1.348 1.00 98.61 5 A 1 ATOM 33 C CB . THR A 1 5 ? -4.701 7.249 1.443 1.00 98.54 5 A 1 ATOM 34 O OG1 . THR A 1 5 ? -5.215 8.361 2.172 1.00 96.96 5 A 1 ATOM 35 C CG2 . THR A 1 5 ? -5.442 5.998 1.867 1.00 96.05 5 A 1 ATOM 36 N N . PHE A 1 6 ? -2.443 6.232 -0.432 1.00 98.56 6 A 1 ATOM 37 C CA . PHE A 1 6 ? -1.907 5.235 -1.354 1.00 98.52 6 A 1 ATOM 38 C C . PHE A 1 6 ? -0.485 4.838 -0.970 1.00 98.62 6 A 1 ATOM 39 O O . PHE A 1 6 ? -0.104 3.675 -1.083 1.00 98.43 6 A 1 ATOM 40 C CB . PHE A 1 6 ? -1.932 5.784 -2.778 1.00 98.32 6 A 1 ATOM 41 C CG . PHE A 1 6 ? -1.651 4.731 -3.819 1.00 97.36 6 A 1 ATOM 42 C CD1 . PHE A 1 6 ? -2.612 3.784 -4.130 1.00 95.85 6 A 1 ATOM 43 C CD2 . PHE A 1 6 ? -0.436 4.699 -4.476 1.00 95.89 6 A 1 ATOM 44 C CE1 . PHE A 1 6 ? -2.365 2.812 -5.084 1.00 95.15 6 A 1 ATOM 45 C CE2 . PHE A 1 6 ? -0.181 3.723 -5.431 1.00 94.78 6 A 1 ATOM 46 C CZ . PHE A 1 6 ? -1.143 2.780 -5.736 1.00 95.09 6 A 1 ATOM 47 N N . LEU A 1 7 ? 0.292 5.804 -0.512 1.00 98.40 7 A 1 ATOM 48 C CA . LEU A 1 7 ? 1.674 5.561 -0.095 1.00 98.44 7 A 1 ATOM 49 C C . LEU A 1 7 ? 1.719 4.642 1.122 1.00 98.51 7 A 1 ATOM 50 O O . LEU A 1 7 ? 2.545 3.732 1.200 1.00 98.48 7 A 1 ATOM 51 C CB . LEU A 1 7 ? 2.363 6.894 0.215 1.00 98.38 7 A 1 ATOM 52 C CG . LEU A 1 7 ? 3.874 6.917 -0.021 1.00 95.46 7 A 1 ATOM 53 C CD1 . LEU A 1 7 ? 4.390 8.349 -0.015 1.00 93.43 7 A 1 ATOM 54 C CD2 . LEU A 1 7 ? 4.619 6.105 1.024 1.00 93.94 7 A 1 ATOM 55 N N . PHE A 1 8 ? 0.817 4.866 2.076 1.00 98.37 8 A 1 ATOM 56 C CA . PHE A 1 8 ? 0.755 4.071 3.298 1.00 98.20 8 A 1 ATOM 57 C C . PHE A 1 8 ? 0.343 2.634 3.004 1.00 98.32 8 A 1 ATOM 58 O O . PHE A 1 8 ? 0.947 1.688 3.508 1.00 98.19 8 A 1 ATOM 59 C CB . PHE A 1 8 ? -0.225 4.713 4.277 1.00 97.87 8 A 1 ATOM 60 C CG . PHE A 1 8 ? 0.061 4.358 5.714 1.00 96.75 8 A 1 ATOM 61 C CD1 . PHE A 1 8 ? 1.073 5.003 6.407 1.00 95.16 8 A 1 ATOM 62 C CD2 . PHE A 1 8 ? -0.689 3.392 6.361 1.00 95.45 8 A 1 ATOM 63 C CE1 . PHE A 1 8 ? 1.342 4.683 7.731 1.00 94.52 8 A 1 ATOM 64 C CE2 . PHE A 1 8 ? -0.423 3.064 7.685 1.00 94.46 8 A 1 ATOM 65 C CZ . PHE A 1 8 ? 0.593 3.708 8.373 1.00 94.91 8 A 1 ATOM 66 N N . ILE A 1 9 ? -0.680 2.471 2.164 1.00 98.53 9 A 1 ATOM 67 C CA . ILE A 1 9 ? -1.181 1.147 1.811 1.00 98.39 9 A 1 ATOM 68 C C . ILE A 1 9 ? -0.163 0.380 0.975 1.00 98.41 9 A 1 ATOM 69 O O . ILE A 1 9 ? 0.045 -0.817 1.170 1.00 98.20 9 A 1 ATOM 70 C CB . ILE A 1 9 ? -2.514 1.255 1.048 1.00 98.12 9 A 1 ATOM 71 C CG1 . ILE A 1 9 ? -3.583 1.909 1.926 1.00 97.31 9 A 1 ATOM 72 C CG2 . ILE A 1 9 ? -2.987 -0.124 0.594 1.00 97.21 9 A 1 ATOM 73 C CD1 . ILE A 1 9 ? -4.835 2.307 1.172 1.00 94.90 9 A 1 ATOM 74 N N . ALA A 1 10 ? 0.475 1.063 0.044 1.00 98.65 10 A 1 ATOM 75 C CA . ALA A 1 10 ? 1.466 0.439 -0.828 1.00 98.64 10 A 1 ATOM 76 C C . ALA A 1 10 ? 2.670 -0.057 -0.036 1.00 98.70 10 A 1 ATOM 77 O O . ALA A 1 10 ? 3.198 -1.135 -0.302 1.00 98.49 10 A 1 ATOM 78 C CB . ALA A 1 10 ? 1.914 1.428 -1.898 1.00 98.50 10 A 1 ATOM 79 N N . THR A 1 11 ? 3.096 0.719 0.945 1.00 98.61 11 A 1 ATOM 80 C CA . THR A 1 11 ? 4.239 0.359 1.781 1.00 98.53 11 A 1 ATOM 81 C C . THR A 1 11 ? 3.927 -0.862 2.636 1.00 98.53 11 A 1 ATOM 82 O O . THR A 1 11 ? 4.733 -1.787 2.725 1.00 98.14 11 A 1 ATOM 83 C CB . THR A 1 11 ? 4.642 1.520 2.698 1.00 98.22 11 A 1 ATOM 84 O OG1 . THR A 1 11 ? 4.903 2.681 1.916 1.00 95.65 11 A 1 ATOM 85 C CG2 . THR A 1 11 ? 5.885 1.176 3.496 1.00 94.76 11 A 1 ATOM 86 N N . LEU A 1 12 ? 2.749 -0.881 3.253 1.00 98.49 12 A 1 ATOM 87 C CA . LEU A 1 12 ? 2.333 -1.999 4.091 1.00 98.28 12 A 1 ATOM 88 C C . LEU A 1 12 ? 2.132 -3.261 3.267 1.00 98.30 12 A 1 ATOM 89 O O . LEU A 1 12 ? 2.480 -4.355 3.700 1.00 97.83 12 A 1 ATOM 90 C CB . LEU A 1 12 ? 1.042 -1.648 4.828 1.00 97.81 12 A 1 ATOM 91 C CG . LEU A 1 12 ? 1.206 -0.616 5.941 1.00 95.59 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? -0.153 -0.152 6.437 1.00 93.92 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? 2.015 -1.196 7.091 1.00 93.14 12 A 1 ATOM 94 N N . GLY A 1 13 ? 1.571 -3.116 2.072 1.00 98.26 13 A 1 ATOM 95 C CA . GLY A 1 13 ? 1.335 -4.251 1.186 1.00 98.09 13 A 1 ATOM 96 C C . GLY A 1 13 ? 2.624 -4.899 0.733 1.00 98.27 13 A 1 ATOM 97 O O . GLY A 1 13 ? 2.706 -6.119 0.606 1.00 97.89 13 A 1 ATOM 98 N N . ALA A 1 14 ? 3.651 -4.098 0.490 1.00 98.15 14 A 1 ATOM 99 C CA . ALA A 1 14 ? 4.955 -4.601 0.067 1.00 98.22 14 A 1 ATOM 100 C C . ALA A 1 14 ? 5.715 -5.233 1.228 1.00 98.35 14 A 1 ATOM 101 O O . ALA A 1 14 ? 6.627 -6.031 1.017 1.00 97.61 14 A 1 ATOM 102 C CB . ALA A 1 14 ? 5.777 -3.468 -0.535 1.00 97.71 14 A 1 ATOM 103 N N . MET A 1 15 ? 5.338 -4.884 2.456 1.00 97.77 15 A 1 ATOM 104 C CA . MET A 1 15 ? 5.988 -5.396 3.658 1.00 97.42 15 A 1 ATOM 105 C C . MET A 1 15 ? 5.222 -6.572 4.264 1.00 97.33 15 A 1 ATOM 106 O O . MET A 1 15 ? 5.460 -6.965 5.404 1.00 95.66 15 A 1 ATOM 107 C CB . MET A 1 15 ? 6.129 -4.280 4.696 1.00 96.17 15 A 1 ATOM 108 C CG . MET A 1 15 ? 7.275 -4.509 5.663 1.00 92.18 15 A 1 ATOM 109 S SD . MET A 1 15 ? 8.852 -4.134 4.919 1.00 87.01 15 A 1 ATOM 110 C CE . MET A 1 15 ? 9.939 -4.443 6.310 1.00 77.14 15 A 1 ATOM 111 N N . THR A 1 16 ? 4.303 -7.139 3.495 1.00 95.96 16 A 1 ATOM 112 C CA . THR A 1 16 ? 3.489 -8.262 3.961 1.00 95.26 16 A 1 ATOM 113 C C . THR A 1 16 ? 4.321 -9.540 4.021 1.00 95.17 16 A 1 ATOM 114 O O . THR A 1 16 ? 5.217 -9.749 3.205 1.00 92.46 16 A 1 ATOM 115 C CB . THR A 1 16 ? 2.285 -8.490 3.043 1.00 92.93 16 A 1 ATOM 116 O OG1 . THR A 1 16 ? 1.659 -7.245 2.733 1.00 88.93 16 A 1 ATOM 117 C CG2 . THR A 1 16 ? 1.261 -9.393 3.697 1.00 87.28 16 A 1 ATOM 118 N N . SER A 1 17 ? 4.012 -10.410 4.989 1.00 92.11 17 A 1 ATOM 119 C CA . SER A 1 17 ? 4.754 -11.653 5.171 1.00 89.52 17 A 1 ATOM 120 C C . SER A 1 17 ? 3.835 -12.865 5.048 1.00 84.47 17 A 1 ATOM 121 O O . SER A 1 17 ? 4.036 -13.683 4.136 1.00 76.05 17 A 1 ATOM 122 C CB . SER A 1 17 ? 5.440 -11.659 6.536 1.00 83.20 17 A 1 ATOM 123 O OG . SER A 1 17 ? 6.296 -12.770 6.653 1.00 74.66 17 A 1 ATOM 124 O OXT . SER A 1 17 ? 2.942 -13.000 5.870 1.00 76.09 17 A 1 #