# 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_510 # _entry.id 510 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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 ASN 2 1 n LEU 3 1 n LEU 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n ALA 8 1 n VAL 9 1 n LEU 10 1 n CYS 11 1 n LEU 12 1 n GLY 13 1 n THR 14 1 n ALA 15 1 n LEU 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 @ 2025-05-31 19:45:53)" _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 92.87 _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 77.49 1 1 A ASN 2 2 91.20 1 2 A LEU 3 2 94.12 1 3 A LEU 4 2 94.50 1 4 A LEU 5 2 93.98 1 5 A LEU 6 2 94.19 1 6 A LEU 7 2 94.53 1 7 A ALA 8 2 97.42 1 8 A VAL 9 2 96.08 1 9 A LEU 10 2 95.31 1 10 A CYS 11 2 96.48 1 11 A LEU 12 2 94.36 1 12 A GLY 13 2 96.94 1 13 A THR 14 2 94.23 1 14 A ALA 15 2 96.77 1 15 A LEU 16 2 91.20 1 16 A ALA 17 2 84.65 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 ASN . 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 LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 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 ? -5.613 5.154 9.519 1.00 83.82 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.157 5.219 8.112 1.00 85.28 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.293 4.902 7.152 1.00 87.49 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.281 4.287 7.535 1.00 85.61 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.034 4.205 7.889 1.00 77.84 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.722 4.706 8.479 1.00 71.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.378 3.572 8.113 1.00 68.37 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.010 4.515 8.794 1.00 59.65 1 A 1 ATOM 9 N N . ASN A 1 2 ? -6.147 5.307 5.926 1.00 93.38 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -7.166 5.059 4.912 1.00 94.92 2 A 1 ATOM 11 C C . ASN A 1 2 ? -6.928 3.714 4.227 1.00 95.88 2 A 1 ATOM 12 O O . ASN A 1 2 ? -5.806 3.217 4.177 1.00 95.45 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -7.136 6.177 3.873 1.00 92.73 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -8.107 7.283 4.244 1.00 88.07 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -7.703 8.332 4.708 1.00 86.41 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -9.392 7.062 4.041 1.00 82.80 2 A 1 ATOM 17 N N . LEU A 1 3 ? -7.999 3.147 3.695 1.00 96.45 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -7.902 1.861 2.996 1.00 96.70 3 A 1 ATOM 19 C C . LEU A 1 3 ? -7.041 1.997 1.741 1.00 97.35 3 A 1 ATOM 20 O O . LEU A 1 3 ? -6.291 1.088 1.386 1.00 96.76 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -9.312 1.390 2.622 1.00 95.95 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -9.368 -0.109 2.350 1.00 92.23 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -9.204 -0.888 3.658 1.00 89.19 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -10.696 -0.468 1.700 1.00 88.37 3 A 1 ATOM 25 N N . LEU A 1 4 ? -7.154 3.133 1.094 1.00 96.62 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -6.373 3.395 -0.124 1.00 96.83 4 A 1 ATOM 27 C C . LEU A 1 4 ? -4.878 3.310 0.164 1.00 97.31 4 A 1 ATOM 28 O O . LEU A 1 4 ? -4.107 2.773 -0.630 1.00 97.05 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -6.728 4.788 -0.643 1.00 96.54 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -8.031 4.798 -1.439 1.00 92.24 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -8.575 6.209 -1.540 1.00 89.86 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -7.783 4.234 -2.837 1.00 89.58 4 A 1 ATOM 33 N N . LEU A 1 5 ? -4.486 3.832 1.303 1.00 96.90 5 A 1 ATOM 34 C CA . LEU A 1 5 ? -3.077 3.804 1.703 1.00 96.88 5 A 1 ATOM 35 C C . LEU A 1 5 ? -2.593 2.365 1.854 1.00 97.38 5 A 1 ATOM 36 O O . LEU A 1 5 ? -1.506 2.009 1.405 1.00 97.33 5 A 1 ATOM 37 C CB . LEU A 1 5 ? -2.909 4.546 3.027 1.00 96.49 5 A 1 ATOM 38 C CG . LEU A 1 5 ? -2.100 5.831 2.872 1.00 89.77 5 A 1 ATOM 39 C CD1 . LEU A 1 5 ? -2.972 6.933 2.277 1.00 88.38 5 A 1 ATOM 40 C CD2 . LEU A 1 5 ? -1.563 6.273 4.227 1.00 88.73 5 A 1 ATOM 41 N N . LEU A 1 6 ? -3.415 1.547 2.492 1.00 96.87 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -3.064 0.139 2.692 1.00 96.76 6 A 1 ATOM 43 C C . LEU A 1 6 ? -2.907 -0.569 1.353 1.00 97.30 6 A 1 ATOM 44 O O . LEU A 1 6 ? -1.976 -1.353 1.162 1.00 97.37 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -4.169 -0.533 3.513 1.00 96.45 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -4.028 -0.266 5.011 1.00 90.17 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -5.345 -0.530 5.722 1.00 89.10 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -2.942 -1.171 5.597 1.00 89.51 6 A 1 ATOM 49 N N . LEU A 1 7 ? -3.824 -0.301 0.447 1.00 97.00 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -3.779 -0.915 -0.880 1.00 97.09 7 A 1 ATOM 51 C C . LEU A 1 7 ? -2.495 -0.526 -1.603 1.00 97.63 7 A 1 ATOM 52 O O . LEU A 1 7 ? -1.832 -1.360 -2.218 1.00 97.56 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -5.003 -0.464 -1.692 1.00 96.70 7 A 1 ATOM 54 C CG . LEU A 1 7 ? -6.138 -1.488 -1.712 1.00 90.93 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? -5.701 -2.745 -2.445 1.00 89.72 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? -6.583 -1.823 -0.304 1.00 89.58 7 A 1 ATOM 57 N N . ALA A 1 8 ? -2.162 0.739 -1.522 1.00 97.49 8 A 1 ATOM 58 C CA . ALA A 1 8 ? -0.955 1.243 -2.180 1.00 97.50 8 A 1 ATOM 59 C C . ALA A 1 8 ? 0.290 0.570 -1.609 1.00 97.76 8 A 1 ATOM 60 O O . ALA A 1 8 ? 1.176 0.147 -2.350 1.00 97.27 8 A 1 ATOM 61 C CB . ALA A 1 8 ? -0.873 2.753 -1.994 1.00 97.06 8 A 1 ATOM 62 N N . VAL A 1 9 ? 0.348 0.470 -0.297 1.00 96.95 9 A 1 ATOM 63 C CA . VAL A 1 9 ? 1.497 -0.154 0.366 1.00 96.83 9 A 1 ATOM 64 C C . VAL A 1 9 ? 1.595 -1.628 -0.009 1.00 97.16 9 A 1 ATOM 65 O O . VAL A 1 9 ? 2.685 -2.142 -0.278 1.00 96.87 9 A 1 ATOM 66 C CB . VAL A 1 9 ? 1.370 -0.007 1.889 1.00 96.15 9 A 1 ATOM 67 C CG1 . VAL A 1 9 ? 2.479 -0.778 2.593 1.00 94.15 9 A 1 ATOM 68 C CG2 . VAL A 1 9 ? 1.445 1.462 2.278 1.00 94.45 9 A 1 ATOM 69 N N . LEU A 1 10 ? 0.469 -2.298 -0.004 1.00 97.31 10 A 1 ATOM 70 C CA . LEU A 1 10 ? 0.433 -3.719 -0.354 1.00 97.20 10 A 1 ATOM 71 C C . LEU A 1 10 ? 0.935 -3.938 -1.773 1.00 97.42 10 A 1 ATOM 72 O O . LEU A 1 10 ? 1.762 -4.819 -2.018 1.00 97.04 10 A 1 ATOM 73 C CB . LEU A 1 10 ? -1.001 -4.233 -0.221 1.00 96.86 10 A 1 ATOM 74 C CG . LEU A 1 10 ? -1.100 -5.742 -0.417 1.00 93.83 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? -0.531 -6.469 0.798 1.00 91.53 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? -2.546 -6.150 -0.629 1.00 91.28 10 A 1 ATOM 77 N N . CYS A 1 11 ? 0.437 -3.150 -2.697 1.00 97.36 11 A 1 ATOM 78 C CA . CYS A 1 11 ? 0.845 -3.262 -4.096 1.00 97.40 11 A 1 ATOM 79 C C . CYS A 1 11 ? 2.334 -2.984 -4.249 1.00 97.37 11 A 1 ATOM 80 O O . CYS A 1 11 ? 3.035 -3.693 -4.962 1.00 96.44 11 A 1 ATOM 81 C CB . CYS A 1 11 ? 0.044 -2.275 -4.943 1.00 96.77 11 A 1 ATOM 82 S SG . CYS A 1 11 ? -1.624 -2.883 -5.265 1.00 93.53 11 A 1 ATOM 83 N N . LEU A 1 12 ? 2.789 -1.958 -3.566 1.00 97.19 12 A 1 ATOM 84 C CA . LEU A 1 12 ? 4.199 -1.583 -3.638 1.00 96.91 12 A 1 ATOM 85 C C . LEU A 1 12 ? 5.082 -2.691 -3.080 1.00 97.13 12 A 1 ATOM 86 O O . LEU A 1 12 ? 6.095 -3.052 -3.677 1.00 96.21 12 A 1 ATOM 87 C CB . LEU A 1 12 ? 4.417 -0.293 -2.850 1.00 96.20 12 A 1 ATOM 88 C CG . LEU A 1 12 ? 5.471 0.603 -3.484 1.00 92.60 12 A 1 ATOM 89 C CD1 . LEU A 1 12 ? 4.854 1.380 -4.640 1.00 89.76 12 A 1 ATOM 90 C CD2 . LEU A 1 12 ? 6.027 1.565 -2.446 1.00 88.88 12 A 1 ATOM 91 N N . GLY A 1 13 ? 4.696 -3.221 -1.940 1.00 97.07 13 A 1 ATOM 92 C CA . GLY A 1 13 ? 5.464 -4.291 -1.313 1.00 96.77 13 A 1 ATOM 93 C C . GLY A 1 13 ? 5.512 -5.533 -2.177 1.00 97.22 13 A 1 ATOM 94 O O . GLY A 1 13 ? 6.563 -6.151 -2.342 1.00 96.70 13 A 1 ATOM 95 N N . THR A 1 14 ? 4.379 -5.902 -2.728 1.00 96.97 14 A 1 ATOM 96 C CA . THR A 1 14 ? 4.301 -7.088 -3.587 1.00 96.72 14 A 1 ATOM 97 C C . THR A 1 14 ? 5.126 -6.899 -4.851 1.00 96.89 14 A 1 ATOM 98 O O . THR A 1 14 ? 5.860 -7.798 -5.261 1.00 95.29 14 A 1 ATOM 99 C CB . THR A 1 14 ? 2.851 -7.366 -3.972 1.00 95.34 14 A 1 ATOM 100 O OG1 . THR A 1 14 ? 2.084 -7.504 -2.782 1.00 89.34 14 A 1 ATOM 101 C CG2 . THR A 1 14 ? 2.751 -8.664 -4.755 1.00 89.05 14 A 1 ATOM 102 N N . ALA A 1 15 ? 5.001 -5.751 -5.462 1.00 97.28 15 A 1 ATOM 103 C CA . ALA A 1 15 ? 5.743 -5.454 -6.688 1.00 97.12 15 A 1 ATOM 104 C C . ALA A 1 15 ? 7.242 -5.428 -6.419 1.00 97.30 15 A 1 ATOM 105 O O . ALA A 1 15 ? 8.038 -5.884 -7.236 1.00 96.01 15 A 1 ATOM 106 C CB . ALA A 1 15 ? 5.290 -4.116 -7.251 1.00 96.12 15 A 1 ATOM 107 N N . LEU A 1 16 ? 7.612 -4.888 -5.280 1.00 95.68 16 A 1 ATOM 108 C CA . LEU A 1 16 ? 9.019 -4.797 -4.899 1.00 94.88 16 A 1 ATOM 109 C C . LEU A 1 16 ? 9.620 -6.181 -4.728 1.00 95.15 16 A 1 ATOM 110 O O . LEU A 1 16 ? 10.740 -6.442 -5.175 1.00 93.34 16 A 1 ATOM 111 C CB . LEU A 1 16 ? 9.142 -3.999 -3.604 1.00 93.25 16 A 1 ATOM 112 C CG . LEU A 1 16 ? 10.585 -3.701 -3.222 1.00 89.07 16 A 1 ATOM 113 C CD1 . LEU A 1 16 ? 10.699 -2.307 -2.629 1.00 85.06 16 A 1 ATOM 114 C CD2 . LEU A 1 16 ? 11.101 -4.729 -2.226 1.00 83.20 16 A 1 ATOM 115 N N . ALA A 1 17 ? 8.893 -7.060 -4.071 1.00 91.46 17 A 1 ATOM 116 C CA . ALA A 1 17 ? 9.357 -8.427 -3.831 1.00 88.91 17 A 1 ATOM 117 C C . ALA A 1 17 ? 9.506 -9.169 -5.147 1.00 86.94 17 A 1 ATOM 118 O O . ALA A 1 17 ? 10.585 -9.743 -5.392 1.00 81.53 17 A 1 ATOM 119 C CB . ALA A 1 17 ? 8.383 -9.151 -2.913 1.00 83.65 17 A 1 ATOM 120 O OXT . ALA A 1 17 ? 8.545 -9.174 -5.919 1.00 75.39 17 A 1 #