data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 GLY 0 2 ASN 0 3 ASN 0 4 ASN 0 5 ASP 0 6 MET 0 7 ARG 0 8 PHE 0 9 GLY 0 10 ALA 0 11 GLY 0 12 THR 0 13 ARG 0 14 LEU 0 15 THR 0 16 VAL 0 17 LYS 0 18 PRO # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # 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 . GLY A 0 1 . 12.599 22.093 -22.569 1.00 72.39 1 A 1 ATOM 2 C CA . GLY A 0 1 . 11.595 21.930 -21.505 1.00 72.39 1 A 1 ATOM 3 C C . GLY A 0 1 . 11.713 20.523 -20.985 1.00 72.39 1 A 1 ATOM 4 O O . GLY A 0 1 . 11.516 19.604 -21.767 1.00 72.39 1 A 1 ATOM 5 N N . ASN A 0 2 . 12.128 20.344 -19.733 1.00 77.85 2 A 1 ATOM 6 C CA . ASN A 0 2 . 12.185 19.013 -19.133 1.00 77.85 2 A 1 ATOM 7 C C . ASN A 0 2 . 10.751 18.587 -18.811 1.00 77.85 2 A 1 ATOM 8 C CB . ASN A 0 2 . 13.123 19.023 -17.911 1.00 77.85 2 A 1 ATOM 9 O O . ASN A 0 2 . 10.186 19.000 -17.801 1.00 77.85 2 A 1 ATOM 10 C CG . ASN A 0 2 . 14.589 19.132 -18.301 1.00 77.85 2 A 1 ATOM 11 N ND2 . ASN A 0 2 . 15.449 19.511 -17.387 1.00 77.85 2 A 1 ATOM 12 O OD1 . ASN A 0 2 . 14.978 18.915 -19.435 1.00 77.85 2 A 1 ATOM 13 N N . ASN A 0 3 . 10.157 17.816 -19.724 1.00 79.83 3 A 1 ATOM 14 C CA . ASN A 0 3 . 8.845 17.197 -19.568 1.00 79.83 3 A 1 ATOM 15 C C . ASN A 0 3 . 8.979 16.018 -18.602 1.00 79.83 3 A 1 ATOM 16 C CB . ASN A 0 3 . 8.312 16.759 -20.945 1.00 79.83 3 A 1 ATOM 17 O O . ASN A 0 3 . 8.959 14.859 -19.015 1.00 79.83 3 A 1 ATOM 18 C CG . ASN A 0 3 . 8.042 17.900 -21.905 1.00 79.83 3 A 1 ATOM 19 N ND2 . ASN A 0 3 . 7.955 17.602 -23.180 1.00 79.83 3 A 1 ATOM 20 O OD1 . ASN A 0 3 . 7.916 19.058 -21.546 1.00 79.83 3 A 1 ATOM 21 N N . ASN A 0 4 . 9.188 16.320 -17.322 1.00 84.17 4 A 1 ATOM 22 C CA . ASN A 0 4 . 9.140 15.317 -16.270 1.00 84.17 4 A 1 ATOM 23 C C . ASN A 0 4 . 7.695 14.825 -16.185 1.00 84.17 4 A 1 ATOM 24 C CB . ASN A 0 4 . 9.649 15.912 -14.950 1.00 84.17 4 A 1 ATOM 25 O O . ASN A 0 4 . 6.851 15.454 -15.550 1.00 84.17 4 A 1 ATOM 26 C CG . ASN A 0 4 . 11.132 16.228 -14.955 1.00 84.17 4 A 1 ATOM 27 N ND2 . ASN A 0 4 . 11.601 16.913 -13.940 1.00 84.17 4 A 1 ATOM 28 O OD1 . ASN A 0 4 . 11.896 15.877 -15.840 1.00 84.17 4 A 1 ATOM 29 N N . ASP A 0 5 . 7.420 13.749 -16.914 1.00 85.26 5 A 1 ATOM 30 C CA . ASP A 0 5 . 6.108 13.132 -16.989 1.00 85.26 5 A 1 ATOM 31 C C . ASP A 0 5 . 5.619 12.764 -15.583 1.00 85.26 5 A 1 ATOM 32 C CB . ASP A 0 5 . 6.195 11.918 -17.923 1.00 85.26 5 A 1 ATOM 33 O O . ASP A 0 5 . 6.356 12.185 -14.775 1.00 85.26 5 A 1 ATOM 34 C CG . ASP A 0 5 . 4.839 11.267 -18.188 1.00 85.26 5 A 1 ATOM 35 O OD1 . ASP A 0 5 . 3.813 11.950 -17.973 1.00 85.26 5 A 1 ATOM 36 O OD2 . ASP A 0 5 . 4.872 10.085 -18.599 1.00 85.26 5 A 1 ATOM 37 N N . MET A 0 6 . 4.378 13.132 -15.279 1.00 90.03 6 A 1 ATOM 38 C CA . MET A 0 6 . 3.766 12.827 -13.993 1.00 90.03 6 A 1 ATOM 39 C C . MET A 0 6 . 3.382 11.352 -13.970 1.00 90.03 6 A 1 ATOM 40 C CB . MET A 0 6 . 2.548 13.721 -13.729 1.00 90.03 6 A 1 ATOM 41 O O . MET A 0 6 . 2.414 10.932 -14.598 1.00 90.03 6 A 1 ATOM 42 C CG . MET A 0 6 . 2.956 15.083 -13.163 1.00 90.03 6 A 1 ATOM 43 S SD . MET A 0 6 . 1.552 16.134 -12.699 1.00 90.03 6 A 1 ATOM 44 C CE . MET A 0 6 . 0.985 16.642 -14.343 1.00 90.03 6 A 1 ATOM 45 N N . ARG A 0 7 . 4.131 10.558 -13.203 1.00 90.44 7 A 1 ATOM 46 C CA . ARG A 0 7 . 3.842 9.137 -12.995 1.00 90.44 7 A 1 ATOM 47 C C . ARG A 0 7 . 3.124 8.924 -11.673 1.00 90.44 7 A 1 ATOM 48 C CB . ARG A 0 7 . 5.122 8.306 -13.089 1.00 90.44 7 A 1 ATOM 49 O O . ARG A 0 7 . 3.611 9.330 -10.620 1.00 90.44 7 A 1 ATOM 50 C CG . ARG A 0 7 . 5.712 8.378 -14.501 1.00 90.44 7 A 1 ATOM 51 C CD . ARG A 0 7 . 6.918 7.450 -14.607 1.00 90.44 7 A 1 ATOM 52 N NE . ARG A 0 7 . 7.443 7.444 -15.980 1.00 90.44 7 A 1 ATOM 53 N NH1 . ARG A 0 7 . 9.064 5.848 -15.672 1.00 90.44 7 A 1 ATOM 54 N NH2 . ARG A 0 7 . 8.777 6.777 -17.687 1.00 90.44 7 A 1 ATOM 55 C CZ . ARG A 0 7 . 8.424 6.692 -16.437 1.00 90.44 7 A 1 ATOM 56 N N . PHE A 0 8 . 1.995 8.230 -11.728 1.00 93.04 8 A 1 ATOM 57 C CA . PHE A 0 8 . 1.278 7.793 -10.536 1.00 93.04 8 A 1 ATOM 58 C C . PHE A 0 8 . 1.831 6.455 -10.032 1.00 93.04 8 A 1 ATOM 59 C CB . PHE A 0 8 . -0.227 7.758 -10.817 1.00 93.04 8 A 1 ATOM 60 O O . PHE A 0 8 . 2.169 5.570 -10.818 1.00 93.04 8 A 1 ATOM 61 C CG . PHE A 0 8 . -0.797 9.128 -11.141 1.00 93.04 8 A 1 ATOM 62 C CD1 . PHE A 0 8 . -1.036 10.052 -10.106 1.00 93.04 8 A 1 ATOM 63 C CD2 . PHE A 0 8 . -1.049 9.498 -12.476 1.00 93.04 8 A 1 ATOM 64 C CE1 . PHE A 0 8 . -1.528 11.335 -10.402 1.00 93.04 8 A 1 ATOM 65 C CE2 . PHE A 0 8 . -1.540 10.782 -12.772 1.00 93.04 8 A 1 ATOM 66 C CZ . PHE A 0 8 . -1.781 11.700 -11.736 1.00 93.04 8 A 1 ATOM 67 N N . GLY A 0 9 . 1.939 6.320 -8.708 1.00 93.22 9 A 1 ATOM 68 C CA . GLY A 0 9 . 2.312 5.067 -8.048 1.00 93.22 9 A 1 ATOM 69 C C . GLY A 0 9 . 1.126 4.110 -7.890 1.00 93.22 9 A 1 ATOM 70 O O . GLY A 0 9 . 0.002 4.419 -8.273 1.00 93.22 9 A 1 ATOM 71 N N . ALA A 0 10 . 1.364 2.961 -7.256 1.00 96.30 10 A 1 ATOM 72 C CA . ALA A 0 10 . 0.343 1.926 -7.042 1.00 96.30 10 A 1 ATOM 73 C C . ALA A 0 10 . -0.842 2.360 -6.147 1.00 96.30 10 A 1 ATOM 74 C CB . ALA A 0 10 . 1.053 0.698 -6.457 1.00 96.30 10 A 1 ATOM 75 O O . ALA A 0 10 . -1.860 1.671 -6.091 1.00 96.30 10 A 1 ATOM 76 N N . GLY A 0 11 . -0.716 3.493 -5.451 1.00 95.98 11 A 1 ATOM 77 C CA . GLY A 0 11 . -1.686 3.962 -4.469 1.00 95.98 11 A 1 ATOM 78 C C . GLY A 0 11 . -1.646 3.164 -3.164 1.00 95.98 11 A 1 ATOM 79 O O . GLY A 0 11 . -0.920 2.181 -3.021 1.00 95.98 11 A 1 ATOM 80 N N . THR A 0 12 . -2.452 3.604 -2.201 1.00 96.42 12 A 1 ATOM 81 C CA . THR A 0 12 . -2.601 2.953 -0.896 1.00 96.42 12 A 1 ATOM 82 C C . THR A 0 12 . -4.068 2.633 -0.672 1.00 96.42 12 A 1 ATOM 83 C CB . THR A 0 12 . -2.060 3.833 0.241 1.00 96.42 12 A 1 ATOM 84 O O . THR A 0 12 . -4.940 3.461 -0.933 1.00 96.42 12 A 1 ATOM 85 C CG2 . THR A 0 12 . -2.162 3.167 1.615 1.00 96.42 12 A 1 ATOM 86 O OG1 . THR A 0 12 . -0.694 4.082 0.021 1.00 96.42 12 A 1 ATOM 87 N N . ARG A 0 13 . -4.348 1.433 -0.160 1.00 95.72 13 A 1 ATOM 88 C CA . ARG A 0 13 . -5.691 1.056 0.282 1.00 95.72 13 A 1 ATOM 89 C C . ARG A 0 13 . -5.845 1.423 1.749 1.00 95.72 13 A 1 ATOM 90 C CB . ARG A 0 13 . -5.940 -0.435 0.037 1.00 95.72 13 A 1 ATOM 91 O O . ARG A 0 13 . -5.157 0.863 2.598 1.00 95.72 13 A 1 ATOM 92 C CG . ARG A 0 13 . -6.008 -0.746 -1.463 1.00 95.72 13 A 1 ATOM 93 C CD . ARG A 0 13 . -6.245 -2.242 -1.676 1.00 95.72 13 A 1 ATOM 94 N NE . ARG A 0 13 . -6.396 -2.559 -3.108 1.00 95.72 13 A 1 ATOM 95 N NH1 . ARG A 0 13 . -6.033 -4.824 -2.960 1.00 95.72 13 A 1 ATOM 96 N NH2 . ARG A 0 13 . -6.456 -3.900 -4.946 1.00 95.72 13 A 1 ATOM 97 C CZ . ARG A 0 13 . -6.295 -3.755 -3.661 1.00 95.72 13 A 1 ATOM 98 N N . LEU A 0 14 . -6.741 2.362 2.029 1.00 95.95 14 A 1 ATOM 99 C CA . LEU A 0 14 . -7.115 2.728 3.387 1.00 95.95 14 A 1 ATOM 100 C C . LEU A 0 14 . -8.414 2.012 3.754 1.00 95.95 14 A 1 ATOM 101 C CB . LEU A 0 14 . -7.224 4.259 3.487 1.00 95.95 14 A 1 ATOM 102 O O . LEU A 0 14 . -9.433 2.198 3.094 1.00 95.95 14 A 1 ATOM 103 C CG . LEU A 0 14 . -7.598 4.763 4.894 1.00 95.95 14 A 1 ATOM 104 C CD1 . LEU A 0 14 . -6.534 4.413 5.938 1.00 95.95 14 A 1 ATOM 105 C CD2 . LEU A 0 14 . -7.756 6.281 4.860 1.00 95.95 14 A 1 ATOM 106 N N . THR A 0 15 . -8.371 1.215 4.819 1.00 96.75 15 A 1 ATOM 107 C CA . THR A 0 15 . -9.558 0.569 5.386 1.00 96.75 15 A 1 ATOM 108 C C . THR A 0 15 . -9.950 1.300 6.659 1.00 96.75 15 A 1 ATOM 109 C CB . THR A 0 15 . -9.314 -0.918 5.671 1.00 96.75 15 A 1 ATOM 110 O O . THR A 0 15 . -9.191 1.300 7.628 1.00 96.75 15 A 1 ATOM 111 C CG2 . THR A 0 15 . -10.580 -1.630 6.148 1.00 96.75 15 A 1 ATOM 112 O OG1 . THR A 0 15 . -8.900 -1.574 4.494 1.00 96.75 15 A 1 ATOM 113 N N . VAL A 0 16 . -11.141 1.897 6.666 1.00 95.86 16 A 1 ATOM 114 C CA . VAL A 0 16 . -11.723 2.524 7.857 1.00 95.86 16 A 1 ATOM 115 C C . VAL A 0 16 . -12.601 1.497 8.559 1.00 95.86 16 A 1 ATOM 116 C CB . VAL A 0 16 . -12.499 3.809 7.506 1.00 95.86 16 A 1 ATOM 117 O O . VAL A 0 16 . -13.449 0.862 7.932 1.00 95.86 16 A 1 ATOM 118 C CG1 . VAL A 0 16 . -13.014 4.509 8.768 1.00 95.86 16 A 1 ATOM 119 C CG2 . VAL A 0 16 . -11.597 4.799 6.754 1.00 95.86 16 A 1 ATOM 120 N N . LYS A 0 17 . -12.366 1.308 9.855 1.00 93.69 17 A 1 ATOM 121 C CA . LYS A 0 17 . -13.273 0.563 10.729 1.00 93.69 17 A 1 ATOM 122 C C . LYS A 0 17 . -14.275 1.564 11.320 1.00 93.69 17 A 1 ATOM 123 C CB . LYS A 0 17 . -12.488 -0.173 11.821 1.00 93.69 17 A 1 ATOM 124 O O . LYS A 0 17 . -13.838 2.685 11.586 1.00 93.69 17 A 1 ATOM 125 C CG . LYS A 0 17 . -11.571 -1.247 11.216 1.00 93.69 17 A 1 ATOM 126 C CD . LYS A 0 17 . -10.784 -1.967 12.312 1.00 93.69 17 A 1 ATOM 127 C CE . LYS A 0 17 . -9.853 -3.008 11.683 1.00 93.69 17 A 1 ATOM 128 N NZ . LYS A 0 17 . -8.988 -3.637 12.710 1.00 93.69 17 A 1 ATOM 129 N N . PRO A 0 18 . -15.561 1.192 11.462 1.00 91.82 18 A 1 ATOM 130 C CA . PRO A 0 18 . -16.543 2.026 12.150 1.00 91.82 18 A 1 ATOM 131 C C . PRO A 0 18 . -16.057 2.486 13.525 1.00 91.82 18 A 1 ATOM 132 C CB . PRO A 0 18 . -17.813 1.180 12.273 1.00 91.82 18 A 1 ATOM 133 O O . PRO A 0 18 . -15.328 1.699 14.177 1.00 91.82 18 A 1 ATOM 134 C CG . PRO A 0 18 . -17.681 0.171 11.139 1.00 91.82 18 A 1 ATOM 135 C CD . PRO A 0 18 . -16.175 -0.064 11.060 1.00 91.82 18 A 1 ATOM 136 O OXT . PRO A 0 18 . -16.461 3.609 13.885 1.00 91.82 18 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 90.48 # loop_ _atom_type.symbol C N O S #