# 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_155 # _entry.id 155 # 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" "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" "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 LEU 2 1 n THR 3 1 n VAL 4 1 n ALA 5 1 n LEU 6 1 n LEU 7 1 n ALA 8 1 n LEU 9 1 n LEU 10 1 n CYS 11 1 n ALA 12 1 n SER 13 1 n ALA 14 1 n SER 15 1 n GLY 16 # _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 @ 2025-05-30 04:50:06)" _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 94.90 _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 91.22 1 1 A LEU 2 2 94.70 1 2 A THR 3 2 96.40 1 3 A VAL 4 2 97.51 1 4 A ALA 5 2 98.19 1 5 A LEU 6 2 95.76 1 6 A LEU 7 2 95.40 1 7 A ALA 8 2 97.53 1 8 A LEU 9 2 95.55 1 9 A LEU 10 2 96.04 1 10 A CYS 11 2 95.78 1 11 A ALA 12 2 97.46 1 12 A SER 13 2 95.30 1 13 A ALA 14 2 96.24 1 14 A SER 15 2 90.32 1 15 A GLY 16 2 84.37 1 16 # _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 LEU . 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 ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n GLY . 16 A 16 # _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 ? -2.685 -6.869 8.872 1.00 95.97 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.450 -5.423 8.705 1.00 96.21 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.188 -5.161 7.889 1.00 96.66 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.902 -4.025 7.529 1.00 95.60 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.309 -4.761 10.078 1.00 93.68 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.629 -4.777 10.842 1.00 89.52 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.471 -3.993 12.454 1.00 85.75 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.180 -4.025 12.975 1.00 76.37 1 A 1 ATOM 9 N N . LEU A 1 2 ? -0.439 -6.212 7.606 1.00 97.55 2 A 1 ATOM 10 C CA . LEU A 1 2 ? 0.790 -6.078 6.818 1.00 97.76 2 A 1 ATOM 11 C C . LEU A 1 2 ? 0.468 -5.570 5.416 1.00 98.18 2 A 1 ATOM 12 O O . LEU A 1 2 ? 1.161 -4.706 4.881 1.00 97.73 2 A 1 ATOM 13 C CB . LEU A 1 2 ? 1.511 -7.425 6.741 1.00 97.16 2 A 1 ATOM 14 C CG . LEU A 1 2 ? 2.364 -7.700 7.976 1.00 92.25 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? 1.519 -8.283 9.098 1.00 89.30 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? 3.500 -8.650 7.629 1.00 87.65 2 A 1 ATOM 17 N N . THR A 1 3 ? -0.609 -6.098 4.840 1.00 97.85 3 A 1 ATOM 18 C CA . THR A 1 3 ? -1.011 -5.685 3.495 1.00 97.91 3 A 1 ATOM 19 C C . THR A 1 3 ? -1.371 -4.202 3.484 1.00 98.11 3 A 1 ATOM 20 O O . THR A 1 3 ? -1.103 -3.489 2.517 1.00 97.66 3 A 1 ATOM 21 C CB . THR A 1 3 ? -2.214 -6.507 3.032 1.00 97.22 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? -1.943 -7.891 3.221 1.00 93.23 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? -2.483 -6.246 1.557 1.00 92.82 3 A 1 ATOM 24 N N . VAL A 1 4 ? -1.971 -3.746 4.569 1.00 98.30 4 A 1 ATOM 25 C CA . VAL A 1 4 ? -2.361 -2.338 4.689 1.00 98.26 4 A 1 ATOM 26 C C . VAL A 1 4 ? -1.117 -1.448 4.671 1.00 98.39 4 A 1 ATOM 27 O O . VAL A 1 4 ? -1.149 -0.323 4.167 1.00 98.11 4 A 1 ATOM 28 C CB . VAL A 1 4 ? -3.151 -2.111 5.987 1.00 97.82 4 A 1 ATOM 29 C CG1 . VAL A 1 4 ? -3.567 -0.650 6.104 1.00 95.86 4 A 1 ATOM 30 C CG2 . VAL A 1 4 ? -4.383 -3.012 6.010 1.00 95.84 4 A 1 ATOM 31 N N . ALA A 1 5 ? -0.033 -1.956 5.226 1.00 98.29 5 A 1 ATOM 32 C CA . ALA A 1 5 ? 1.220 -1.196 5.267 1.00 98.25 5 A 1 ATOM 33 C C . ALA A 1 5 ? 1.682 -0.866 3.846 1.00 98.37 5 A 1 ATOM 34 O O . ALA A 1 5 ? 2.164 0.238 3.578 1.00 98.00 5 A 1 ATOM 35 C CB . ALA A 1 5 ? 2.286 -2.009 5.999 1.00 98.02 5 A 1 ATOM 36 N N . LEU A 1 6 ? 1.518 -1.828 2.938 1.00 97.86 6 A 1 ATOM 37 C CA . LEU A 1 6 ? 1.916 -1.619 1.542 1.00 97.86 6 A 1 ATOM 38 C C . LEU A 1 6 ? 1.058 -0.526 0.915 1.00 98.14 6 A 1 ATOM 39 O O . LEU A 1 6 ? 1.554 0.313 0.159 1.00 97.93 6 A 1 ATOM 40 C CB . LEU A 1 6 ? 1.747 -2.933 0.768 1.00 97.60 6 A 1 ATOM 41 C CG . LEU A 1 6 ? 2.730 -4.016 1.216 1.00 93.49 6 A 1 ATOM 42 C CD1 . LEU A 1 6 ? 2.372 -5.353 0.567 1.00 91.84 6 A 1 ATOM 43 C CD2 . LEU A 1 6 ? 4.161 -3.635 0.842 1.00 91.38 6 A 1 ATOM 44 N N . LEU A 1 7 ? -0.224 -0.545 1.236 1.00 97.65 7 A 1 ATOM 45 C CA . LEU A 1 7 ? -1.147 0.463 0.713 1.00 97.57 7 A 1 ATOM 46 C C . LEU A 1 7 ? -0.755 1.846 1.226 1.00 97.95 7 A 1 ATOM 47 O O . LEU A 1 7 ? -0.800 2.831 0.486 1.00 97.80 7 A 1 ATOM 48 C CB . LEU A 1 7 ? -2.570 0.124 1.152 1.00 97.09 7 A 1 ATOM 49 C CG . LEU A 1 7 ? -3.609 1.064 0.546 1.00 92.59 7 A 1 ATOM 50 C CD1 . LEU A 1 7 ? -3.706 0.856 -0.961 1.00 91.57 7 A 1 ATOM 51 C CD2 . LEU A 1 7 ? -4.969 0.820 1.189 1.00 90.99 7 A 1 ATOM 52 N N . ALA A 1 8 ? -0.376 1.903 2.492 1.00 97.75 8 A 1 ATOM 53 C CA . ALA A 1 8 ? 0.033 3.171 3.103 1.00 97.53 8 A 1 ATOM 54 C C . ALA A 1 8 ? 1.277 3.717 2.409 1.00 97.85 8 A 1 ATOM 55 O O . ALA A 1 8 ? 1.403 4.925 2.194 1.00 97.38 8 A 1 ATOM 56 C CB . ALA A 1 8 ? 0.311 2.951 4.588 1.00 97.12 8 A 1 ATOM 57 N N . LEU A 1 9 ? 2.182 2.822 2.052 1.00 97.81 9 A 1 ATOM 58 C CA . LEU A 1 9 ? 3.415 3.225 1.369 1.00 97.65 9 A 1 ATOM 59 C C . LEU A 1 9 ? 3.085 3.833 0.011 1.00 97.89 9 A 1 ATOM 60 O O . LEU A 1 9 ? 3.654 4.857 -0.379 1.00 97.38 9 A 1 ATOM 61 C CB . LEU A 1 9 ? 4.321 2.007 1.192 1.00 97.26 9 A 1 ATOM 62 C CG . LEU A 1 9 ? 5.686 2.366 0.610 1.00 93.48 9 A 1 ATOM 63 C CD1 . LEU A 1 9 ? 6.501 3.179 1.612 1.00 91.74 9 A 1 ATOM 64 C CD2 . LEU A 1 9 ? 6.445 1.100 0.234 1.00 91.19 9 A 1 ATOM 65 N N . LEU A 1 10 ? 2.169 3.198 -0.701 1.00 97.98 10 A 1 ATOM 66 C CA . LEU A 1 10 ? 1.756 3.691 -2.016 1.00 97.72 10 A 1 ATOM 67 C C . LEU A 1 10 ? 1.078 5.050 -1.876 1.00 97.88 10 A 1 ATOM 68 O O . LEU A 1 10 ? 1.301 5.953 -2.687 1.00 97.38 10 A 1 ATOM 69 C CB . LEU A 1 10 ? 0.802 2.687 -2.662 1.00 97.36 10 A 1 ATOM 70 C CG . LEU A 1 10 ? 0.405 3.071 -4.083 1.00 95.08 10 A 1 ATOM 71 C CD1 . LEU A 1 10 ? 1.607 2.975 -5.020 1.00 92.72 10 A 1 ATOM 72 C CD2 . LEU A 1 10 ? -0.711 2.162 -4.582 1.00 92.18 10 A 1 ATOM 73 N N . CYS A 1 11 ? 0.257 5.182 -0.854 1.00 97.57 11 A 1 ATOM 74 C CA . CYS A 1 11 ? -0.454 6.439 -0.611 1.00 97.43 11 A 1 ATOM 75 C C . CYS A 1 11 ? 0.539 7.566 -0.327 1.00 97.26 11 A 1 ATOM 76 O O . CYS A 1 11 ? 0.381 8.686 -0.812 1.00 95.99 11 A 1 ATOM 77 C CB . CYS A 1 11 ? -1.403 6.264 0.577 1.00 96.23 11 A 1 ATOM 78 S SG . CYS A 1 11 ? -2.432 7.719 0.804 1.00 90.20 11 A 1 ATOM 79 N N . ALA A 1 12 ? 1.555 7.254 0.460 1.00 97.82 12 A 1 ATOM 80 C CA . ALA A 1 12 ? 2.573 8.253 0.798 1.00 97.63 12 A 1 ATOM 81 C C . ALA A 1 12 ? 3.321 8.704 -0.452 1.00 97.90 12 A 1 ATOM 82 O O . ALA A 1 12 ? 3.636 9.884 -0.608 1.00 97.04 12 A 1 ATOM 83 C CB . ALA A 1 12 ? 3.549 7.661 1.812 1.00 96.92 12 A 1 ATOM 84 N N . SER A 1 13 ? 3.603 7.760 -1.340 1.00 97.62 13 A 1 ATOM 85 C CA . SER A 1 13 ? 4.313 8.067 -2.584 1.00 97.33 13 A 1 ATOM 86 C C . SER A 1 13 ? 3.459 8.956 -3.479 1.00 96.95 13 A 1 ATOM 87 O O . SER A 1 13 ? 3.957 9.910 -4.081 1.00 94.87 13 A 1 ATOM 88 C CB . SER A 1 13 ? 4.660 6.771 -3.319 1.00 96.40 13 A 1 ATOM 89 O OG . SER A 1 13 ? 5.365 7.062 -4.501 1.00 88.62 13 A 1 ATOM 90 N N . ALA A 1 14 ? 2.174 8.639 -3.571 1.00 97.35 14 A 1 ATOM 91 C CA . ALA A 1 14 ? 1.247 9.411 -4.405 1.00 96.74 14 A 1 ATOM 92 C C . ALA A 1 14 ? 0.912 10.750 -3.759 1.00 96.75 14 A 1 ATOM 93 O O . ALA A 1 14 ? 0.599 11.718 -4.453 1.00 94.93 14 A 1 ATOM 94 C CB . ALA A 1 14 ? -0.029 8.599 -4.631 1.00 95.41 14 A 1 ATOM 95 N N . SER A 1 15 ? 0.974 10.803 -2.440 1.00 94.48 15 A 1 ATOM 96 C CA . SER A 1 15 ? 0.658 12.033 -1.702 1.00 93.81 15 A 1 ATOM 97 C C . SER A 1 15 ? 1.540 13.184 -2.167 1.00 93.22 15 A 1 ATOM 98 O O . SER A 1 15 ? 1.079 14.312 -2.342 1.00 88.99 15 A 1 ATOM 99 C CB . SER A 1 15 ? 0.843 11.807 -0.204 1.00 90.56 15 A 1 ATOM 100 O OG . SER A 1 15 ? 0.489 12.975 0.496 1.00 80.86 15 A 1 ATOM 101 N N . GLY A 1 16 ? 2.832 12.910 -2.377 1.00 92.17 16 A 1 ATOM 102 C CA . GLY A 1 16 ? 3.746 13.960 -2.830 1.00 87.33 16 A 1 ATOM 103 C C . GLY A 1 16 ? 3.831 15.090 -1.831 1.00 84.28 16 A 1 ATOM 104 O O . GLY A 1 16 ? 4.138 14.838 -0.661 1.00 76.86 16 A 1 ATOM 105 O OXT . GLY A 1 16 ? 3.612 16.238 -2.222 1.00 81.22 16 A 1 #