# 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_spkb26728 # _entry.id spkb26728 # 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" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[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" "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 ALA 1 1 n PRO 2 1 n THR 3 1 n VAL 4 1 n ALA 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n CYS 10 1 n ALA 11 1 n LEU 12 1 n CYS 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 @ 2025-07-11 14:11:52)" _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 96.96 _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 ALA 1 2 92.67 1 1 A PRO 2 2 96.65 1 2 A THR 3 2 97.03 1 3 A VAL 4 2 97.76 1 4 A ALA 5 2 98.43 1 5 A LEU 6 2 97.58 1 6 A LEU 7 2 97.35 1 7 A LEU 8 2 97.41 1 8 A LEU 9 2 97.53 1 9 A CYS 10 2 97.83 1 10 A ALA 11 2 98.55 1 11 A LEU 12 2 97.66 1 12 A CYS 13 2 97.34 1 13 A SER 14 2 96.31 1 14 A ALA 15 2 93.00 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 ALA . 1 A 1 A 2 1 n PRO . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n LEU . 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 CYS . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n CYS . 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 . ALA A 1 1 ? 2.821 11.063 2.789 1.00 90.20 1 A 1 ATOM 2 C CA . ALA A 1 1 ? 1.517 10.374 2.682 1.00 93.47 1 A 1 ATOM 3 C C . ALA A 1 1 ? 1.661 8.872 2.931 1.00 95.31 1 A 1 ATOM 4 O O . ALA A 1 1 ? 2.008 8.122 2.022 1.00 93.86 1 A 1 ATOM 5 C CB . ALA A 1 1 ? 0.934 10.612 1.297 1.00 90.53 1 A 1 ATOM 6 N N . PRO A 1 2 ? 1.410 8.431 4.162 1.00 96.80 2 A 1 ATOM 7 C CA . PRO A 1 2 ? 1.515 7.013 4.544 1.00 97.83 2 A 1 ATOM 8 C C . PRO A 1 2 ? 0.405 6.161 3.933 1.00 98.33 2 A 1 ATOM 9 O O . PRO A 1 2 ? 0.521 4.938 3.857 1.00 97.86 2 A 1 ATOM 10 C CB . PRO A 1 2 ? 1.397 7.043 6.071 1.00 96.73 2 A 1 ATOM 11 C CG . PRO A 1 2 ? 0.619 8.281 6.367 1.00 93.58 2 A 1 ATOM 12 C CD . PRO A 1 2 ? 0.997 9.276 5.297 1.00 95.45 2 A 1 ATOM 13 N N . THR A 1 3 ? -0.662 6.785 3.503 1.00 97.77 3 A 1 ATOM 14 C CA . THR A 1 3 ? -1.802 6.084 2.906 1.00 98.20 3 A 1 ATOM 15 C C . THR A 1 3 ? -1.423 5.449 1.569 1.00 98.43 3 A 1 ATOM 16 O O . THR A 1 3 ? -1.859 4.343 1.248 1.00 98.15 3 A 1 ATOM 17 C CB . THR A 1 3 ? -2.971 7.051 2.688 1.00 97.67 3 A 1 ATOM 18 O OG1 . THR A 1 3 ? -3.069 7.947 3.789 1.00 94.62 3 A 1 ATOM 19 C CG2 . THR A 1 3 ? -4.267 6.274 2.550 1.00 94.39 3 A 1 ATOM 20 N N . VAL A 1 4 ? -0.616 6.145 0.799 1.00 98.38 4 A 1 ATOM 21 C CA . VAL A 1 4 ? -0.183 5.652 -0.515 1.00 98.40 4 A 1 ATOM 22 C C . VAL A 1 4 ? 0.621 4.364 -0.373 1.00 98.55 4 A 1 ATOM 23 O O . VAL A 1 4 ? 0.437 3.411 -1.134 1.00 98.45 4 A 1 ATOM 24 C CB . VAL A 1 4 ? 0.662 6.707 -1.242 1.00 98.09 4 A 1 ATOM 25 C CG1 . VAL A 1 4 ? 1.091 6.196 -2.606 1.00 96.23 4 A 1 ATOM 26 C CG2 . VAL A 1 4 ? -0.122 8.001 -1.390 1.00 96.23 4 A 1 ATOM 27 N N . ALA A 1 5 ? 1.517 4.344 0.593 1.00 98.33 5 A 1 ATOM 28 C CA . ALA A 1 5 ? 2.355 3.169 0.834 1.00 98.44 5 A 1 ATOM 29 C C . ALA A 1 5 ? 1.513 1.970 1.265 1.00 98.59 5 A 1 ATOM 30 O O . ALA A 1 5 ? 1.776 0.836 0.867 1.00 98.45 5 A 1 ATOM 31 C CB . ALA A 1 5 ? 3.388 3.493 1.902 1.00 98.32 5 A 1 ATOM 32 N N . LEU A 1 6 ? 0.509 2.219 2.073 1.00 98.55 6 A 1 ATOM 33 C CA . LEU A 1 6 ? -0.379 1.165 2.560 1.00 98.51 6 A 1 ATOM 34 C C . LEU A 1 6 ? -1.180 0.553 1.413 1.00 98.60 6 A 1 ATOM 35 O O . LEU A 1 6 ? -1.354 -0.664 1.347 1.00 98.50 6 A 1 ATOM 36 C CB . LEU A 1 6 ? -1.332 1.734 3.615 1.00 98.38 6 A 1 ATOM 37 C CG . LEU A 1 6 ? -1.292 0.974 4.937 1.00 96.67 6 A 1 ATOM 38 C CD1 . LEU A 1 6 ? -0.201 1.529 5.834 1.00 95.78 6 A 1 ATOM 39 C CD2 . LEU A 1 6 ? -2.642 1.063 5.635 1.00 95.67 6 A 1 ATOM 40 N N . LEU A 1 7 ? -1.664 1.397 0.523 1.00 98.51 7 A 1 ATOM 41 C CA . LEU A 1 7 ? -2.453 0.951 -0.627 1.00 98.48 7 A 1 ATOM 42 C C . LEU A 1 7 ? -1.617 0.066 -1.546 1.00 98.61 7 A 1 ATOM 43 O O . LEU A 1 7 ? -2.079 -0.966 -2.028 1.00 98.53 7 A 1 ATOM 44 C CB . LEU A 1 7 ? -2.977 2.172 -1.398 1.00 98.37 7 A 1 ATOM 45 C CG . LEU A 1 7 ? -4.476 2.398 -1.269 1.00 96.15 7 A 1 ATOM 46 C CD1 . LEU A 1 7 ? -5.243 1.230 -1.862 1.00 94.90 7 A 1 ATOM 47 C CD2 . LEU A 1 7 ? -4.869 2.619 0.174 1.00 95.22 7 A 1 ATOM 48 N N . LEU A 1 8 ? -0.387 0.480 -1.785 1.00 98.45 8 A 1 ATOM 49 C CA . LEU A 1 8 ? 0.521 -0.272 -2.655 1.00 98.45 8 A 1 ATOM 50 C C . LEU A 1 8 ? 0.880 -1.622 -2.042 1.00 98.57 8 A 1 ATOM 51 O O . LEU A 1 8 ? 0.855 -2.646 -2.722 1.00 98.48 8 A 1 ATOM 52 C CB . LEU A 1 8 ? 1.793 0.543 -2.892 1.00 98.37 8 A 1 ATOM 53 C CG . LEU A 1 8 ? 2.571 0.112 -4.131 1.00 96.31 8 A 1 ATOM 54 C CD1 . LEU A 1 8 ? 1.925 0.707 -5.384 1.00 95.27 8 A 1 ATOM 55 C CD2 . LEU A 1 8 ? 4.020 0.555 -4.031 1.00 95.40 8 A 1 ATOM 56 N N . LEU A 1 9 ? 1.209 -1.629 -0.759 1.00 98.55 9 A 1 ATOM 57 C CA . LEU A 1 9 ? 1.571 -2.859 -0.056 1.00 98.48 9 A 1 ATOM 58 C C . LEU A 1 9 ? 0.382 -3.811 0.038 1.00 98.55 9 A 1 ATOM 59 O O . LEU A 1 9 ? 0.526 -5.016 -0.153 1.00 98.43 9 A 1 ATOM 60 C CB . LEU A 1 9 ? 2.078 -2.524 1.348 1.00 98.34 9 A 1 ATOM 61 C CG . LEU A 1 9 ? 3.570 -2.773 1.536 1.00 96.49 9 A 1 ATOM 62 C CD1 . LEU A 1 9 ? 4.376 -1.584 1.033 1.00 95.72 9 A 1 ATOM 63 C CD2 . LEU A 1 9 ? 3.871 -3.028 3.008 1.00 95.70 9 A 1 ATOM 64 N N . CYS A 1 10 ? -0.779 -3.275 0.329 1.00 98.46 10 A 1 ATOM 65 C CA . CYS A 1 10 ? -1.999 -4.075 0.460 1.00 98.32 10 A 1 ATOM 66 C C . CYS A 1 10 ? -2.330 -4.784 -0.852 1.00 98.37 10 A 1 ATOM 67 O O . CYS A 1 10 ? -2.759 -5.936 -0.856 1.00 97.90 10 A 1 ATOM 68 C CB . CYS A 1 10 ? -3.163 -3.175 0.881 1.00 97.91 10 A 1 ATOM 69 S SG . CYS A 1 10 ? -4.532 -4.108 1.579 1.00 96.02 10 A 1 ATOM 70 N N . ALA A 1 11 ? -2.134 -4.085 -1.962 1.00 98.56 11 A 1 ATOM 71 C CA . ALA A 1 11 ? -2.421 -4.652 -3.280 1.00 98.61 11 A 1 ATOM 72 C C . ALA A 1 11 ? -1.359 -5.670 -3.690 1.00 98.69 11 A 1 ATOM 73 O O . ALA A 1 11 ? -1.684 -6.734 -4.216 1.00 98.43 11 A 1 ATOM 74 C CB . ALA A 1 11 ? -2.501 -3.532 -4.308 1.00 98.48 11 A 1 ATOM 75 N N . LEU A 1 12 ? -0.092 -5.358 -3.450 1.00 98.61 12 A 1 ATOM 76 C CA . LEU A 1 12 ? 1.021 -6.237 -3.807 1.00 98.53 12 A 1 ATOM 77 C C . LEU A 1 12 ? 1.032 -7.491 -2.941 1.00 98.58 12 A 1 ATOM 78 O O . LEU A 1 12 ? 1.217 -8.601 -3.432 1.00 98.25 12 A 1 ATOM 79 C CB . LEU A 1 12 ? 2.345 -5.475 -3.654 1.00 98.33 12 A 1 ATOM 80 C CG . LEU A 1 12 ? 3.348 -5.707 -4.784 1.00 97.33 12 A 1 ATOM 81 C CD1 . LEU A 1 12 ? 3.700 -7.176 -4.922 1.00 96.03 12 A 1 ATOM 82 C CD2 . LEU A 1 12 ? 2.791 -5.161 -6.085 1.00 95.59 12 A 1 ATOM 83 N N . CYS A 1 13 ? 0.842 -7.319 -1.648 1.00 98.08 13 A 1 ATOM 84 C CA . CYS A 1 13 ? 0.842 -8.436 -0.702 1.00 97.99 13 A 1 ATOM 85 C C . CYS A 1 13 ? -0.348 -9.367 -0.940 1.00 98.05 13 A 1 ATOM 86 O O . CYS A 1 13 ? -0.232 -10.584 -0.806 1.00 97.16 13 A 1 ATOM 87 C CB . CYS A 1 13 ? 0.810 -7.900 0.731 1.00 97.34 13 A 1 ATOM 88 S SG . CYS A 1 13 ? 1.234 -9.163 1.941 1.00 95.40 13 A 1 ATOM 89 N N . SER A 1 14 ? -1.477 -8.797 -1.273 1.00 97.89 14 A 1 ATOM 90 C CA . SER A 1 14 ? -2.695 -9.570 -1.520 1.00 97.77 14 A 1 ATOM 91 C C . SER A 1 14 ? -2.639 -10.297 -2.859 1.00 97.68 14 A 1 ATOM 92 O O . SER A 1 14 ? -2.938 -11.492 -2.944 1.00 96.25 14 A 1 ATOM 93 C CB . SER A 1 14 ? -3.914 -8.650 -1.486 1.00 96.68 14 A 1 ATOM 94 O OG . SER A 1 14 ? -5.098 -9.406 -1.561 1.00 91.61 14 A 1 ATOM 95 N N . ALA A 1 15 ? -2.275 -9.583 -3.908 1.00 96.80 15 A 1 ATOM 96 C CA . ALA A 1 15 ? -2.195 -10.147 -5.254 1.00 95.74 15 A 1 ATOM 97 C C . ALA A 1 15 ? -0.864 -10.865 -5.482 1.00 95.05 15 A 1 ATOM 98 O O . ALA A 1 15 ? -0.273 -11.373 -4.514 1.00 92.06 15 A 1 ATOM 99 C CB . ALA A 1 15 ? -2.389 -9.032 -6.275 1.00 92.99 15 A 1 ATOM 100 O OXT . ALA A 1 15 ? -0.390 -10.930 -6.614 1.00 85.34 15 A 1 #