# 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_spkb14481 # _entry.id spkb14481 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "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 GLN 2 1 n LEU 3 1 n LEU 4 1 n LEU 5 1 n SER 6 1 n SER 7 1 n VAL 8 1 n CYS 9 1 n MET 10 1 n ALA 11 1 n LEU 12 1 n THR 13 1 n SER 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 @ 2025-07-09 16:35:15)" _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 89.17 _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 80.14 1 1 A GLN 2 2 82.44 1 2 A LEU 3 2 89.75 1 3 A LEU 4 2 91.73 1 4 A LEU 5 2 91.23 1 5 A SER 6 2 92.34 1 6 A SER 7 2 91.53 1 7 A VAL 8 2 93.29 1 8 A CYS 9 2 92.80 1 9 A MET 10 2 89.35 1 10 A ALA 11 2 95.05 1 11 A LEU 12 2 91.08 1 12 A THR 13 2 88.70 1 13 A SER 14 2 88.78 1 14 A ALA 15 2 83.58 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 GLN . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n MET . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n SER . 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 ? -8.358 -3.619 4.142 1.00 85.56 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.012 -3.971 3.657 1.00 86.50 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.474 -2.923 2.686 1.00 88.14 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.299 -2.920 2.349 1.00 87.88 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.041 -5.334 2.964 1.00 82.48 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.572 -6.449 3.871 1.00 77.65 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.631 -8.037 3.046 1.00 71.94 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.346 -9.115 4.441 1.00 61.01 1 A 1 ATOM 9 N N . GLN A 1 2 ? -7.345 -2.059 2.264 1.00 86.08 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -6.941 -0.992 1.350 1.00 90.06 2 A 1 ATOM 11 C C . GLN A 1 2 ? -6.106 0.068 2.060 1.00 91.96 2 A 1 ATOM 12 O O . GLN A 1 2 ? -5.177 0.632 1.487 1.00 88.70 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -8.194 -0.359 0.744 1.00 86.53 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -9.160 0.132 1.799 1.00 79.90 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -10.492 0.512 1.182 1.00 77.89 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -10.664 1.623 0.717 1.00 72.69 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -11.428 -0.401 1.160 1.00 68.15 2 A 1 ATOM 18 N N . LEU A 1 3 ? -6.435 0.318 3.315 1.00 90.81 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -5.707 1.312 4.103 1.00 92.47 3 A 1 ATOM 20 C C . LEU A 1 3 ? -4.270 0.861 4.334 1.00 94.27 3 A 1 ATOM 21 O O . LEU A 1 3 ? -3.347 1.674 4.353 1.00 92.94 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -6.413 1.520 5.447 1.00 91.85 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -7.854 2.002 5.305 1.00 88.42 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -8.502 2.092 6.680 1.00 84.38 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -7.884 3.366 4.627 1.00 82.85 3 A 1 ATOM 26 N N . LEU A 1 4 ? -4.091 -0.425 4.504 1.00 94.09 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -2.759 -0.987 4.726 1.00 94.71 4 A 1 ATOM 28 C C . LEU A 1 4 ? -1.883 -0.751 3.502 1.00 95.31 4 A 1 ATOM 29 O O . LEU A 1 4 ? -0.727 -0.345 3.616 1.00 94.88 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -2.871 -2.490 5.000 1.00 94.71 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -3.894 -2.849 6.072 1.00 89.90 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -3.922 -4.360 6.279 1.00 85.59 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -3.541 -2.154 7.388 1.00 84.68 4 A 1 ATOM 34 N N . LEU A 1 5 ? -2.431 -1.004 2.343 1.00 94.36 5 A 1 ATOM 35 C CA . LEU A 1 5 ? -1.705 -0.817 1.090 1.00 94.58 5 A 1 ATOM 36 C C . LEU A 1 5 ? -1.390 0.656 0.876 1.00 95.05 5 A 1 ATOM 37 O O . LEU A 1 5 ? -0.320 1.009 0.379 1.00 95.03 5 A 1 ATOM 38 C CB . LEU A 1 5 ? -2.554 -1.343 -0.066 1.00 94.14 5 A 1 ATOM 39 C CG . LEU A 1 5 ? -2.915 -2.817 0.075 1.00 88.17 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? -3.920 -3.210 -1.002 1.00 84.29 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? -1.667 -3.679 -0.036 1.00 84.19 5 A 1 ATOM 42 N N . SER A 1 6 ? -2.309 1.503 1.253 1.00 94.40 6 A 1 ATOM 43 C CA . SER A 1 6 ? -2.131 2.943 1.110 1.00 94.48 6 A 1 ATOM 44 C C . SER A 1 6 ? -0.987 3.438 1.989 1.00 95.05 6 A 1 ATOM 45 O O . SER A 1 6 ? -0.157 4.232 1.556 1.00 93.77 6 A 1 ATOM 46 C CB . SER A 1 6 ? -3.423 3.664 1.479 1.00 93.31 6 A 1 ATOM 47 O OG . SER A 1 6 ? -4.393 3.484 0.475 1.00 83.03 6 A 1 ATOM 48 N N . SER A 1 7 ? -0.947 2.957 3.216 1.00 92.25 7 A 1 ATOM 49 C CA . SER A 1 7 ? 0.097 3.346 4.159 1.00 93.33 7 A 1 ATOM 50 C C . SER A 1 7 ? 1.468 2.867 3.693 1.00 94.13 7 A 1 ATOM 51 O O . SER A 1 7 ? 2.437 3.625 3.690 1.00 93.31 7 A 1 ATOM 52 C CB . SER A 1 7 ? -0.208 2.768 5.540 1.00 92.78 7 A 1 ATOM 53 O OG . SER A 1 7 ? -1.182 3.540 6.201 1.00 83.37 7 A 1 ATOM 54 N N . VAL A 1 8 ? 1.532 1.617 3.299 1.00 93.83 8 A 1 ATOM 55 C CA . VAL A 1 8 ? 2.793 1.035 2.840 1.00 94.30 8 A 1 ATOM 56 C C . VAL A 1 8 ? 3.229 1.652 1.516 1.00 95.29 8 A 1 ATOM 57 O O . VAL A 1 8 ? 4.387 2.031 1.344 1.00 94.45 8 A 1 ATOM 58 C CB . VAL A 1 8 ? 2.654 -0.486 2.685 1.00 93.63 8 A 1 ATOM 59 C CG1 . VAL A 1 8 ? 3.955 -1.092 2.193 1.00 90.54 8 A 1 ATOM 60 C CG2 . VAL A 1 8 ? 2.254 -1.108 4.011 1.00 90.99 8 A 1 ATOM 61 N N . CYS A 1 9 ? 2.307 1.747 0.602 1.00 93.90 9 A 1 ATOM 62 C CA . CYS A 1 9 ? 2.603 2.312 -0.710 1.00 94.30 9 A 1 ATOM 63 C C . CYS A 1 9 ? 3.064 3.763 -0.593 1.00 94.38 9 A 1 ATOM 64 O O . CYS A 1 9 ? 4.009 4.183 -1.252 1.00 92.75 9 A 1 ATOM 65 C CB . CYS A 1 9 ? 1.367 2.223 -1.605 1.00 93.11 9 A 1 ATOM 66 S SG . CYS A 1 9 ? 1.257 0.639 -2.470 1.00 88.35 9 A 1 ATOM 67 N N . MET A 1 10 ? 2.387 4.523 0.251 1.00 93.61 10 A 1 ATOM 68 C CA . MET A 1 10 ? 2.731 5.929 0.452 1.00 93.28 10 A 1 ATOM 69 C C . MET A 1 10 ? 4.143 6.061 1.025 1.00 94.65 10 A 1 ATOM 70 O O . MET A 1 10 ? 4.936 6.883 0.578 1.00 94.06 10 A 1 ATOM 71 C CB . MET A 1 10 ? 1.721 6.585 1.392 1.00 92.33 10 A 1 ATOM 72 C CG . MET A 1 10 ? 1.151 7.855 0.810 1.00 88.40 10 A 1 ATOM 73 S SD . MET A 1 10 ? 0.399 8.919 2.039 1.00 82.95 10 A 1 ATOM 74 C CE . MET A 1 10 ? -1.100 8.008 2.398 1.00 75.53 10 A 1 ATOM 75 N N . ALA A 1 11 ? 4.430 5.242 2.019 1.00 94.55 11 A 1 ATOM 76 C CA . ALA A 1 11 ? 5.746 5.263 2.651 1.00 95.24 11 A 1 ATOM 77 C C . ALA A 1 11 ? 6.816 4.760 1.690 1.00 96.00 11 A 1 ATOM 78 O O . ALA A 1 11 ? 7.936 5.266 1.676 1.00 94.61 11 A 1 ATOM 79 C CB . ALA A 1 11 ? 5.727 4.408 3.908 1.00 94.83 11 A 1 ATOM 80 N N . LEU A 1 12 ? 6.467 3.768 0.897 1.00 94.47 12 A 1 ATOM 81 C CA . LEU A 1 12 ? 7.400 3.186 -0.062 1.00 94.02 12 A 1 ATOM 82 C C . LEU A 1 12 ? 7.772 4.207 -1.126 1.00 94.43 12 A 1 ATOM 83 O O . LEU A 1 12 ? 8.935 4.325 -1.514 1.00 92.83 12 A 1 ATOM 84 C CB . LEU A 1 12 ? 6.764 1.952 -0.711 1.00 93.31 12 A 1 ATOM 85 C CG . LEU A 1 12 ? 7.769 0.929 -1.229 1.00 89.48 12 A 1 ATOM 86 C CD1 . LEU A 1 12 ? 8.620 1.516 -2.337 1.00 85.64 12 A 1 ATOM 87 C CD2 . LEU A 1 12 ? 8.644 0.453 -0.081 1.00 84.42 12 A 1 ATOM 88 N N . THR A 1 13 ? 6.794 4.932 -1.594 1.00 92.72 13 A 1 ATOM 89 C CA . THR A 1 13 ? 7.021 5.944 -2.621 1.00 91.89 13 A 1 ATOM 90 C C . THR A 1 13 ? 7.933 7.051 -2.108 1.00 91.93 13 A 1 ATOM 91 O O . THR A 1 13 ? 8.796 7.549 -2.832 1.00 89.05 13 A 1 ATOM 92 C CB . THR A 1 13 ? 5.689 6.557 -3.067 1.00 89.60 13 A 1 ATOM 93 O OG1 . THR A 1 13 ? 4.690 5.544 -3.150 1.00 83.59 13 A 1 ATOM 94 C CG2 . THR A 1 13 ? 5.859 7.201 -4.433 1.00 82.12 13 A 1 ATOM 95 N N . SER A 1 14 ? 7.741 7.442 -0.876 1.00 92.13 14 A 1 ATOM 96 C CA . SER A 1 14 ? 8.550 8.494 -0.259 1.00 91.84 14 A 1 ATOM 97 C C . SER A 1 14 ? 9.573 7.911 0.708 1.00 91.56 14 A 1 ATOM 98 O O . SER A 1 14 ? 9.978 8.571 1.665 1.00 87.90 14 A 1 ATOM 99 C CB . SER A 1 14 ? 7.639 9.469 0.484 1.00 89.38 14 A 1 ATOM 100 O OG . SER A 1 14 ? 6.838 8.790 1.422 1.00 79.87 14 A 1 ATOM 101 N N . ALA A 1 15 ? 9.994 6.687 0.448 1.00 90.65 15 A 1 ATOM 102 C CA . ALA A 1 15 ? 10.946 6.003 1.318 1.00 87.27 15 A 1 ATOM 103 C C . ALA A 1 15 ? 12.230 6.818 1.476 1.00 85.53 15 A 1 ATOM 104 O O . ALA A 1 15 ? 12.611 7.531 0.533 1.00 81.49 15 A 1 ATOM 105 C CB . ALA A 1 15 ? 11.268 4.625 0.763 1.00 82.43 15 A 1 ATOM 106 O OXT . ALA A 1 15 ? 12.867 6.733 2.531 1.00 74.09 15 A 1 #