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 MET 0 2 ASN 0 3 ARG 0 4 SER 0 5 ASN 0 6 SER 0 7 PHE 0 8 ALA 0 9 LYS 0 10 THR 0 11 THR 0 12 VAL 0 13 GLN 0 14 SER 0 15 ASP 0 16 MET 0 17 SER 0 18 ASN 0 19 LYS 0 20 ASN 0 21 GLY 0 22 SER 0 23 SER 0 24 ALA 0 25 ASP 0 26 SER 0 27 TRP 0 28 ASN 0 29 SER 0 30 ARG 0 31 SER 0 32 ASN 0 33 ASP 0 34 ILE 0 35 VAL 0 36 ASN 0 37 THR 0 38 GLY 0 39 ARG 0 40 ARG 0 41 SER 0 42 LYS 0 43 LYS # 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 . MET A 0 1 . -41.123 -14.013 18.634 1.00 63.67 1 A 1 ATOM 2 C CA . MET A 0 1 . -40.043 -14.852 18.069 1.00 63.67 1 A 1 ATOM 3 C C . MET A 0 1 . -38.906 -13.920 17.659 1.00 63.67 1 A 1 ATOM 4 C CB . MET A 0 1 . -40.586 -15.710 16.911 1.00 63.67 1 A 1 ATOM 5 O O . MET A 0 1 . -39.126 -13.033 16.846 1.00 63.67 1 A 1 ATOM 6 C CG . MET A 0 1 . -39.746 -16.958 16.628 1.00 63.67 1 A 1 ATOM 7 S SD . MET A 0 1 . -40.477 -18.041 15.369 1.00 63.67 1 A 1 ATOM 8 C CE . MET A 0 1 . -41.730 -18.950 16.325 1.00 63.67 1 A 1 ATOM 9 N N . ASN A 0 2 . -37.769 -14.030 18.343 1.00 63.92 2 A 1 ATOM 10 C CA . ASN A 0 2 . -36.637 -13.100 18.324 1.00 63.92 2 A 1 ATOM 11 C C . ASN A 0 2 . -35.860 -13.218 16.995 1.00 63.92 2 A 1 ATOM 12 C CB . ASN A 0 2 . -35.781 -13.486 19.558 1.00 63.92 2 A 1 ATOM 13 O O . ASN A 0 2 . -35.434 -14.317 16.650 1.00 63.92 2 A 1 ATOM 14 C CG . ASN A 0 2 . -34.893 -12.383 20.093 1.00 63.92 2 A 1 ATOM 15 N ND2 . ASN A 0 2 . -34.165 -12.642 21.155 1.00 63.92 2 A 1 ATOM 16 O OD1 . ASN A 0 2 . -34.890 -11.274 19.598 1.00 63.92 2 A 1 ATOM 17 N N . ARG A 0 3 . -35.687 -12.129 16.238 1.00 69.50 3 A 1 ATOM 18 C CA . ARG A 0 3 . -34.821 -12.090 15.043 1.00 69.50 3 A 1 ATOM 19 C C . ARG A 0 3 . -33.741 -11.036 15.248 1.00 69.50 3 A 1 ATOM 20 C CB . ARG A 0 3 . -35.615 -11.856 13.743 1.00 69.50 3 A 1 ATOM 21 O O . ARG A 0 3 . -33.792 -9.957 14.666 1.00 69.50 3 A 1 ATOM 22 C CG . ARG A 0 3 . -36.434 -13.070 13.281 1.00 69.50 3 A 1 ATOM 23 C CD . ARG A 0 3 . -37.090 -12.755 11.928 1.00 69.50 3 A 1 ATOM 24 N NE . ARG A 0 3 . -37.920 -13.875 11.438 1.00 69.50 3 A 1 ATOM 25 N NH1 . ARG A 0 3 . -39.500 -12.637 10.311 1.00 69.50 3 A 1 ATOM 26 N NH2 . ARG A 0 3 . -39.653 -14.859 10.332 1.00 69.50 3 A 1 ATOM 27 C CZ . ARG A 0 3 . -39.015 -13.784 10.700 1.00 69.50 3 A 1 ATOM 28 N N . SER A 0 4 . -32.772 -11.340 16.101 1.00 70.17 4 A 1 ATOM 29 C CA . SER A 0 4 . -31.541 -10.559 16.186 1.00 70.17 4 A 1 ATOM 30 C C . SER A 0 4 . -30.739 -10.828 14.913 1.00 70.17 4 A 1 ATOM 31 C CB . SER A 0 4 . -30.730 -10.927 17.439 1.00 70.17 4 A 1 ATOM 32 O O . SER A 0 4 . -30.046 -11.838 14.814 1.00 70.17 4 A 1 ATOM 33 O OG . SER A 0 4 . -31.580 -11.170 18.544 1.00 70.17 4 A 1 ATOM 34 N N . ASN A 0 5 . -30.872 -9.962 13.905 1.00 66.49 5 A 1 ATOM 35 C CA . ASN A 0 5 . -30.039 -9.999 12.703 1.00 66.49 5 A 1 ATOM 36 C C . ASN A 0 5 . -28.637 -9.491 13.072 1.00 66.49 5 A 1 ATOM 37 C CB . ASN A 0 5 . -30.727 -9.227 11.547 1.00 66.49 5 A 1 ATOM 38 O O . ASN A 0 5 . -28.244 -8.371 12.750 1.00 66.49 5 A 1 ATOM 39 C CG . ASN A 0 5 . -31.022 -10.079 10.323 1.00 66.49 5 A 1 ATOM 40 N ND2 . ASN A 0 5 . -31.270 -9.455 9.196 1.00 66.49 5 A 1 ATOM 41 O OD1 . ASN A 0 5 . -31.094 -11.293 10.353 1.00 66.49 5 A 1 ATOM 42 N N . SER A 0 6 . -27.890 -10.311 13.807 1.00 64.91 6 A 1 ATOM 43 C CA . SER A 0 6 . -26.485 -10.074 14.113 1.00 64.91 6 A 1 ATOM 44 C C . SER A 0 6 . -25.660 -10.367 12.866 1.00 64.91 6 A 1 ATOM 45 C CB . SER A 0 6 . -26.025 -10.914 15.310 1.00 64.91 6 A 1 ATOM 46 O O . SER A 0 6 . -24.907 -11.335 12.812 1.00 64.91 6 A 1 ATOM 47 O OG . SER A 0 6 . -26.747 -10.547 16.470 1.00 64.91 6 A 1 ATOM 48 N N . PHE A 0 7 . -25.780 -9.524 11.842 1.00 66.58 7 A 1 ATOM 49 C CA . PHE A 0 7 . -24.694 -9.384 10.884 1.00 66.58 7 A 1 ATOM 50 C C . PHE A 0 7 . -23.579 -8.640 11.609 1.00 66.58 7 A 1 ATOM 51 C CB . PHE A 0 7 . -25.154 -8.693 9.598 1.00 66.58 7 A 1 ATOM 52 O O . PHE A 0 7 . -23.444 -7.421 11.501 1.00 66.58 7 A 1 ATOM 53 C CG . PHE A 0 7 . -26.072 -9.549 8.752 1.00 66.58 7 A 1 ATOM 54 C CD1 . PHE A 0 7 . -25.564 -10.677 8.077 1.00 66.58 7 A 1 ATOM 55 C CD2 . PHE A 0 7 . -27.432 -9.215 8.627 1.00 66.58 7 A 1 ATOM 56 C CE1 . PHE A 0 7 . -26.414 -11.471 7.287 1.00 66.58 7 A 1 ATOM 57 C CE2 . PHE A 0 7 . -28.271 -9.999 7.817 1.00 66.58 7 A 1 ATOM 58 C CZ . PHE A 0 7 . -27.769 -11.132 7.159 1.00 66.58 7 A 1 ATOM 59 N N . ALA A 0 8 . -22.806 -9.385 12.398 1.00 67.10 8 A 1 ATOM 60 C CA . ALA A 0 8 . -21.487 -8.954 12.807 1.00 67.10 8 A 1 ATOM 61 C C . ALA A 0 8 . -20.716 -8.728 11.505 1.00 67.10 8 A 1 ATOM 62 C CB . ALA A 0 8 . -20.864 -10.025 13.713 1.00 67.10 8 A 1 ATOM 63 O O . ALA A 0 8 . -20.263 -9.675 10.865 1.00 67.10 8 A 1 ATOM 64 N N . LYS A 0 9 . -20.658 -7.471 11.050 1.00 67.68 9 A 1 ATOM 65 C CA . LYS A 0 9 . -19.725 -7.067 10.006 1.00 67.68 9 A 1 ATOM 66 C C . LYS A 0 9 . -18.372 -7.433 10.578 1.00 67.68 9 A 1 ATOM 67 C CB . LYS A 0 9 . -19.831 -5.565 9.705 1.00 67.68 9 A 1 ATOM 68 O O . LYS A 0 9 . -17.942 -6.830 11.557 1.00 67.68 9 A 1 ATOM 69 C CG . LYS A 0 9 . -21.147 -5.210 8.996 1.00 67.68 9 A 1 ATOM 70 C CD . LYS A 0 9 . -21.275 -3.689 8.836 1.00 67.68 9 A 1 ATOM 71 C CE . LYS A 0 9 . -22.625 -3.303 8.211 1.00 67.68 9 A 1 ATOM 72 N NZ . LYS A 0 9 . -22.500 -2.934 6.777 1.00 67.68 9 A 1 ATOM 73 N N . THR A 0 10 . -17.785 -8.491 10.038 1.00 62.74 10 A 1 ATOM 74 C CA . THR A 0 10 . -16.424 -8.901 10.336 1.00 62.74 10 A 1 ATOM 75 C C . THR A 0 10 . -15.591 -7.636 10.247 1.00 62.74 10 A 1 ATOM 76 C CB . THR A 0 10 . -15.956 -9.941 9.303 1.00 62.74 10 A 1 ATOM 77 O O . THR A 0 10 . -15.500 -7.046 9.167 1.00 62.74 10 A 1 ATOM 78 C CG2 . THR A 0 10 . -16.737 -11.251 9.431 1.00 62.74 10 A 1 ATOM 79 O OG1 . THR A 0 10 . -16.183 -9.464 7.993 1.00 62.74 10 A 1 ATOM 80 N N . THR A 0 11 . -15.069 -7.152 11.375 1.00 62.04 11 A 1 ATOM 81 C CA . THR A 0 11 . -14.021 -6.142 11.339 1.00 62.04 11 A 1 ATOM 82 C C . THR A 0 11 . -12.946 -6.798 10.506 1.00 62.04 11 A 1 ATOM 83 C CB . THR A 0 11 . -13.494 -5.796 12.739 1.00 62.04 11 A 1 ATOM 84 O O . THR A 0 11 . -12.349 -7.780 10.942 1.00 62.04 11 A 1 ATOM 85 C CG2 . THR A 0 11 . -12.457 -4.673 12.706 1.00 62.04 11 A 1 ATOM 86 O OG1 . THR A 0 11 . -14.564 -5.343 13.532 1.00 62.04 11 A 1 ATOM 87 N N . VAL A 0 12 . -12.793 -6.351 9.262 1.00 62.25 12 A 1 ATOM 88 C CA . VAL A 0 12 . -11.660 -6.728 8.438 1.00 62.25 12 A 1 ATOM 89 C C . VAL A 0 12 . -10.475 -6.178 9.218 1.00 62.25 12 A 1 ATOM 90 C CB . VAL A 0 12 . -11.788 -6.165 7.004 1.00 62.25 12 A 1 ATOM 91 O O . VAL A 0 12 . -10.103 -5.019 9.067 1.00 62.25 12 A 1 ATOM 92 C CG1 . VAL A 0 12 . -10.574 -6.518 6.138 1.00 62.25 12 A 1 ATOM 93 C CG2 . VAL A 0 12 . -13.038 -6.719 6.303 1.00 62.25 12 A 1 ATOM 94 N N . GLN A 0 13 . -9.932 -6.983 10.134 1.00 55.61 13 A 1 ATOM 95 C CA . GLN A 0 13 . -8.558 -6.863 10.573 1.00 55.61 13 A 1 ATOM 96 C C . GLN A 0 13 . -7.762 -7.205 9.323 1.00 55.61 13 A 1 ATOM 97 C CB . GLN A 0 13 . -8.241 -7.797 11.761 1.00 55.61 13 A 1 ATOM 98 O O . GLN A 0 13 . -7.282 -8.320 9.149 1.00 55.61 13 A 1 ATOM 99 C CG . GLN A 0 13 . -8.550 -7.163 13.123 1.00 55.61 13 A 1 ATOM 100 C CD . GLN A 0 13 . -8.213 -8.108 14.274 1.00 55.61 13 A 1 ATOM 101 N NE2 . GLN A 0 13 . -7.022 -8.054 14.832 1.00 55.61 13 A 1 ATOM 102 O OE1 . GLN A 0 13 . -9.019 -8.919 14.687 1.00 55.61 13 A 1 ATOM 103 N N . SER A 0 14 . -7.700 -6.255 8.389 1.00 60.99 14 A 1 ATOM 104 C CA . SER A 0 14 . -6.602 -6.203 7.454 1.00 60.99 14 A 1 ATOM 105 C C . SER A 0 14 . -5.395 -6.052 8.355 1.00 60.99 14 A 1 ATOM 106 C CB . SER A 0 14 . -6.751 -5.035 6.473 1.00 60.99 14 A 1 ATOM 107 O O . SER A 0 14 . -5.162 -4.978 8.913 1.00 60.99 14 A 1 ATOM 108 O OG . SER A 0 14 . -7.017 -3.831 7.166 1.00 60.99 14 A 1 ATOM 109 N N . ASP A 0 15 . -4.737 -7.174 8.600 1.00 61.51 15 A 1 ATOM 110 C CA . ASP A 0 15 . -3.418 -7.232 9.178 1.00 61.51 15 A 1 ATOM 111 C C . ASP A 0 15 . -2.567 -6.220 8.399 1.00 61.51 15 A 1 ATOM 112 C CB . ASP A 0 15 . -2.949 -8.688 9.063 1.00 61.51 15 A 1 ATOM 113 O O . ASP A 0 15 . -2.263 -6.389 7.220 1.00 61.51 15 A 1 ATOM 114 C CG . ASP A 0 15 . -1.601 -8.905 9.730 1.00 61.51 15 A 1 ATOM 115 O OD1 . ASP A 0 15 . -0.744 -9.553 9.102 1.00 61.51 15 A 1 ATOM 116 O OD2 . ASP A 0 15 . -1.414 -8.376 10.845 1.00 61.51 15 A 1 ATOM 117 N N . MET A 0 16 . -2.303 -5.070 9.022 1.00 58.89 16 A 1 ATOM 118 C CA . MET A 0 16 . -1.559 -3.958 8.422 1.00 58.89 16 A 1 ATOM 119 C C . MET A 0 16 . -0.064 -4.299 8.290 1.00 58.89 16 A 1 ATOM 120 C CB . MET A 0 16 . -1.776 -2.678 9.255 1.00 58.89 16 A 1 ATOM 121 O O . MET A 0 16 . 0.725 -3.423 7.936 1.00 58.89 16 A 1 ATOM 122 C CG . MET A 0 16 . -3.188 -2.081 9.153 1.00 58.89 16 A 1 ATOM 123 S SD . MET A 0 16 . -3.432 -0.899 7.799 1.00 58.89 16 A 1 ATOM 124 C CE . MET A 0 16 . -5.183 -0.485 8.022 1.00 58.89 16 A 1 ATOM 125 N N . SER A 0 17 . 0.330 -5.549 8.562 1.00 59.73 17 A 1 ATOM 126 C CA . SER A 0 17 . 1.699 -6.061 8.469 1.00 59.73 17 A 1 ATOM 127 C C . SER A 0 17 . 2.320 -5.840 7.086 1.00 59.73 17 A 1 ATOM 128 C CB . SER A 0 17 . 1.690 -7.557 8.794 1.00 59.73 17 A 1 ATOM 129 O O . SER A 0 17 . 3.524 -5.615 6.979 1.00 59.73 17 A 1 ATOM 130 O OG . SER A 0 17 . 0.919 -8.217 7.816 1.00 59.73 17 A 1 ATOM 131 N N . ASN A 0 18 . 1.505 -5.767 6.029 1.00 56.61 18 A 1 ATOM 132 C CA . ASN A 0 18 . 1.994 -5.500 4.677 1.00 56.61 18 A 1 ATOM 133 C C . ASN A 0 18 . 2.265 -4.020 4.358 1.00 56.61 18 A 1 ATOM 134 C CB . ASN A 0 18 . 1.106 -6.212 3.638 1.00 56.61 18 A 1 ATOM 135 O O . ASN A 0 18 . 2.688 -3.722 3.243 1.00 56.61 18 A 1 ATOM 136 C CG . ASN A 0 18 . 1.678 -7.560 3.231 1.00 56.61 18 A 1 ATOM 137 N ND2 . ASN A 0 18 . 1.275 -8.078 2.096 1.00 56.61 18 A 1 ATOM 138 O OD1 . ASN A 0 18 . 2.500 -8.163 3.892 1.00 56.61 18 A 1 ATOM 139 N N . LYS A 0 19 . 2.117 -3.079 5.304 1.00 55.70 19 A 1 ATOM 140 C CA . LYS A 0 19 . 2.599 -1.695 5.097 1.00 55.70 19 A 1 ATOM 141 C C . LYS A 0 19 . 4.126 -1.581 5.069 1.00 55.70 19 A 1 ATOM 142 C CB . LYS A 0 19 . 2.009 -0.749 6.145 1.00 55.70 19 A 1 ATOM 143 O O . LYS A 0 19 . 4.640 -0.565 4.611 1.00 55.70 19 A 1 ATOM 144 C CG . LYS A 0 19 . 0.553 -0.407 5.818 1.00 55.70 19 A 1 ATOM 145 C CD . LYS A 0 19 . 0.012 0.573 6.860 1.00 55.70 19 A 1 ATOM 146 C CE . LYS A 0 19 . -1.343 1.112 6.405 1.00 55.70 19 A 1 ATOM 147 N NZ . LYS A 0 19 . -2.005 1.871 7.493 1.00 55.70 19 A 1 ATOM 148 N N . ASN A 0 20 . 4.843 -2.614 5.510 1.00 56.43 20 A 1 ATOM 149 C CA . ASN A 0 20 . 6.296 -2.699 5.365 1.00 56.43 20 A 1 ATOM 150 C C . ASN A 0 20 . 6.731 -3.234 3.990 1.00 56.43 20 A 1 ATOM 151 C CB . ASN A 0 20 . 6.866 -3.513 6.535 1.00 56.43 20 A 1 ATOM 152 O O . ASN A 0 20 . 7.924 -3.234 3.696 1.00 56.43 20 A 1 ATOM 153 C CG . ASN A 0 20 . 6.860 -2.704 7.817 1.00 56.43 20 A 1 ATOM 154 N ND2 . ASN A 0 20 . 8.013 -2.309 8.305 1.00 56.43 20 A 1 ATOM 155 O OD1 . ASN A 0 20 . 5.828 -2.376 8.377 1.00 56.43 20 A 1 ATOM 156 N N . GLY A 0 21 . 5.790 -3.646 3.131 1.00 52.98 21 A 1 ATOM 157 C CA . GLY A 0 21 . 6.059 -3.834 1.712 1.00 52.98 21 A 1 ATOM 158 C C . GLY A 0 21 . 6.250 -2.464 1.077 1.00 52.98 21 A 1 ATOM 159 O O . GLY A 0 21 . 5.277 -1.756 0.835 1.00 52.98 21 A 1 ATOM 160 N N . SER A 0 22 . 7.506 -2.064 0.894 1.00 55.89 22 A 1 ATOM 161 C CA . SER A 0 22 . 7.932 -0.821 0.258 1.00 55.89 22 A 1 ATOM 162 C C . SER A 0 22 . 6.949 -0.327 -0.809 1.00 55.89 22 A 1 ATOM 163 C CB . SER A 0 22 . 9.300 -1.056 -0.391 1.00 55.89 22 A 1 ATOM 164 O O . SER A 0 22 . 6.805 -0.909 -1.880 1.00 55.89 22 A 1 ATOM 165 O OG . SER A 0 22 . 10.284 -1.178 0.616 1.00 55.89 22 A 1 ATOM 166 N N . SER A 0 23 . 6.341 0.834 -0.551 1.00 59.30 23 A 1 ATOM 167 C CA . SER A 0 23 . 5.548 1.620 -1.514 1.00 59.30 23 A 1 ATOM 168 C C . SER A 0 23 . 6.317 1.962 -2.815 1.00 59.30 23 A 1 ATOM 169 C CB . SER A 0 23 . 5.092 2.896 -0.791 1.00 59.30 23 A 1 ATOM 170 O O . SER A 0 23 . 5.755 2.503 -3.765 1.00 59.30 23 A 1 ATOM 171 O OG . SER A 0 23 . 4.092 3.590 -1.504 1.00 59.30 23 A 1 ATOM 172 N N . ALA A 0 24 . 7.606 1.617 -2.893 1.00 57.07 24 A 1 ATOM 173 C CA . ALA A 0 24 . 8.445 1.773 -4.073 1.00 57.07 24 A 1 ATOM 174 C C . ALA A 0 24 . 8.050 0.849 -5.249 1.00 57.07 24 A 1 ATOM 175 C CB . ALA A 0 24 . 9.898 1.554 -3.636 1.00 57.07 24 A 1 ATOM 176 O O . ALA A 0 24 . 8.276 1.218 -6.400 1.00 57.07 24 A 1 ATOM 177 N N . ASP A 0 25 . 7.397 -0.297 -5.011 1.00 57.13 25 A 1 ATOM 178 C CA . ASP A 0 25 . 7.174 -1.295 -6.076 1.00 57.13 25 A 1 ATOM 179 C C . ASP A 0 25 . 5.855 -1.153 -6.857 1.00 57.13 25 A 1 ATOM 180 C CB . ASP A 0 25 . 7.376 -2.710 -5.524 1.00 57.13 25 A 1 ATOM 181 O O . ASP A 0 25 . 5.637 -1.860 -7.849 1.00 57.13 25 A 1 ATOM 182 C CG . ASP A 0 25 . 8.844 -2.956 -5.172 1.00 57.13 25 A 1 ATOM 183 O OD1 . ASP A 0 25 . 9.695 -2.693 -6.058 1.00 57.13 25 A 1 ATOM 184 O OD2 . ASP A 0 25 . 9.094 -3.380 -4.025 1.00 57.13 25 A 1 ATOM 185 N N . SER A 0 26 . 4.991 -0.194 -6.495 1.00 56.39 26 A 1 ATOM 186 C CA . SER A 0 26 . 3.759 0.076 -7.264 1.00 56.39 26 A 1 ATOM 187 C C . SER A 0 26 . 4.038 0.620 -8.673 1.00 56.39 26 A 1 ATOM 188 C CB . SER A 0 26 . 2.843 1.043 -6.510 1.00 56.39 26 A 1 ATOM 189 O O . SER A 0 26 . 3.237 0.414 -9.587 1.00 56.39 26 A 1 ATOM 190 O OG . SER A 0 26 . 2.162 0.355 -5.481 1.00 56.39 26 A 1 ATOM 191 N N . TRP A 0 27 . 5.184 1.275 -8.874 1.00 57.78 27 A 1 ATOM 192 C CA . TRP A 0 27 . 5.646 1.720 -10.196 1.00 57.78 27 A 1 ATOM 193 C C . TRP A 0 27 . 6.529 0.675 -10.890 1.00 57.78 27 A 1 ATOM 194 C CB . TRP A 0 27 . 6.370 3.060 -10.039 1.00 57.78 27 A 1 ATOM 195 O O . TRP A 0 27 . 6.574 0.617 -12.119 1.00 57.78 27 A 1 ATOM 196 C CG . TRP A 0 27 . 5.512 4.157 -9.487 1.00 57.78 27 A 1 ATOM 197 C CD1 . TRP A 0 27 . 5.409 4.495 -8.181 1.00 57.78 27 A 1 ATOM 198 C CD2 . TRP A 0 27 . 4.621 5.063 -10.207 1.00 57.78 27 A 1 ATOM 199 C CE2 . TRP A 0 27 . 4.003 5.933 -9.260 1.00 57.78 27 A 1 ATOM 200 C CE3 . TRP A 0 27 . 4.283 5.245 -11.567 1.00 57.78 27 A 1 ATOM 201 N NE1 . TRP A 0 27 . 4.515 5.539 -8.042 1.00 57.78 27 A 1 ATOM 202 C CH2 . TRP A 0 27 . 2.788 7.095 -11.001 1.00 57.78 27 A 1 ATOM 203 C CZ2 . TRP A 0 27 . 3.097 6.935 -9.639 1.00 57.78 27 A 1 ATOM 204 C CZ3 . TRP A 0 27 . 3.378 6.251 -11.960 1.00 57.78 27 A 1 ATOM 205 N N . ASN A 0 28 . 7.185 -0.187 -10.110 1.00 57.95 28 A 1 ATOM 206 C CA . ASN A 0 28 . 8.077 -1.223 -10.621 1.00 57.95 28 A 1 ATOM 207 C C . ASN A 0 28 . 7.299 -2.363 -11.303 1.00 57.95 28 A 1 ATOM 208 C CB . ASN A 0 28 . 8.931 -1.709 -9.438 1.00 57.95 28 A 1 ATOM 209 O O . ASN A 0 28 . 7.662 -2.812 -12.388 1.00 57.95 28 A 1 ATOM 210 C CG . ASN A 0 28 . 10.148 -2.509 -9.852 1.00 57.95 28 A 1 ATOM 211 N ND2 . ASN A 0 28 . 10.797 -3.121 -8.891 1.00 57.95 28 A 1 ATOM 212 O OD1 . ASN A 0 28 . 10.534 -2.566 -11.009 1.00 57.95 28 A 1 ATOM 213 N N . SER A 0 29 . 6.153 -2.761 -10.739 1.00 57.95 29 A 1 ATOM 214 C CA . SER A 0 29 . 5.388 -3.908 -11.256 1.00 57.95 29 A 1 ATOM 215 C C . SER A 0 29 . 4.743 -3.659 -12.627 1.00 57.95 29 A 1 ATOM 216 C CB . SER A 0 29 . 4.320 -4.339 -10.249 1.00 57.95 29 A 1 ATOM 217 O O . SER A 0 29 . 4.594 -4.586 -13.412 1.00 57.95 29 A 1 ATOM 218 O OG . SER A 0 29 . 4.916 -4.683 -9.012 1.00 57.95 29 A 1 ATOM 219 N N . ARG A 0 30 . 4.392 -2.410 -12.967 1.00 55.04 30 A 1 ATOM 220 C CA . ARG A 0 30 . 3.753 -2.099 -14.263 1.00 55.04 30 A 1 ATOM 221 C C . ARG A 0 30 . 4.736 -2.044 -15.430 1.00 55.04 30 A 1 ATOM 222 C CB . ARG A 0 30 . 2.965 -0.787 -14.175 1.00 55.04 30 A 1 ATOM 223 O O . ARG A 0 30 . 4.318 -2.167 -16.577 1.00 55.04 30 A 1 ATOM 224 C CG . ARG A 0 30 . 1.760 -0.908 -13.235 1.00 55.04 30 A 1 ATOM 225 C CD . ARG A 0 30 . 0.984 0.410 -13.218 1.00 55.04 30 A 1 ATOM 226 N NE . ARG A 0 30 . -0.149 0.346 -12.276 1.00 55.04 30 A 1 ATOM 227 N NH1 . ARG A 0 30 . 0.028 2.469 -11.407 1.00 55.04 30 A 1 ATOM 228 N NH2 . ARG A 0 30 . -1.561 1.097 -10.659 1.00 55.04 30 A 1 ATOM 229 C CZ . ARG A 0 30 . -0.552 1.302 -11.457 1.00 55.04 30 A 1 ATOM 230 N N . SER A 0 31 . 6.025 -1.846 -15.161 1.00 58.19 31 A 1 ATOM 231 C CA . SER A 0 31 . 7.000 -1.574 -16.222 1.00 58.19 31 A 1 ATOM 232 C C . SER A 0 31 . 7.373 -2.822 -17.031 1.00 58.19 31 A 1 ATOM 233 C CB . SER A 0 31 . 8.235 -0.881 -15.644 1.00 58.19 31 A 1 ATOM 234 O O . SER A 0 31 . 7.725 -2.691 -18.200 1.00 58.19 31 A 1 ATOM 235 O OG . SER A 0 31 . 7.855 0.367 -15.082 1.00 58.19 31 A 1 ATOM 236 N N . ASN A 0 32 . 7.235 -4.028 -16.467 1.00 59.71 32 A 1 ATOM 237 C CA . ASN A 0 32 . 7.580 -5.268 -17.176 1.00 59.71 32 A 1 ATOM 238 C C . ASN A 0 32 . 6.446 -5.834 -18.047 1.00 59.71 32 A 1 ATOM 239 C CB . ASN A 0 32 . 8.120 -6.295 -16.167 1.00 59.71 32 A 1 ATOM 240 O O . ASN A 0 32 . 6.729 -6.500 -19.044 1.00 59.71 32 A 1 ATOM 241 C CG . ASN A 0 32 . 9.566 -6.026 -15.783 1.00 59.71 32 A 1 ATOM 242 N ND2 . ASN A 0 32 . 9.976 -6.433 -14.606 1.00 59.71 32 A 1 ATOM 243 O OD1 . ASN A 0 32 . 10.352 -5.468 -16.530 1.00 59.71 32 A 1 ATOM 244 N N . ASP A 0 33 . 5.182 -5.532 -17.746 1.00 56.95 33 A 1 ATOM 245 C CA . ASP A 0 33 . 4.053 -6.051 -18.534 1.00 56.95 33 A 1 ATOM 246 C C . ASP A 0 33 . 3.799 -5.244 -19.818 1.00 56.95 33 A 1 ATOM 247 C CB . ASP A 0 33 . 2.794 -6.117 -17.658 1.00 56.95 33 A 1 ATOM 248 O O . ASP A 0 33 . 3.327 -5.785 -20.823 1.00 56.95 33 A 1 ATOM 249 C CG . ASP A 0 33 . 2.856 -7.222 -16.597 1.00 56.95 33 A 1 ATOM 250 O OD1 . ASP A 0 33 . 3.593 -8.211 -16.818 1.00 56.95 33 A 1 ATOM 251 O OD2 . ASP A 0 33 . 2.140 -7.065 -15.586 1.00 56.95 33 A 1 ATOM 252 N N . ILE A 0 34 . 4.166 -3.957 -19.829 1.00 58.25 34 A 1 ATOM 253 C CA . ILE A 0 34 . 3.921 -3.063 -20.972 1.00 58.25 34 A 1 ATOM 254 C C . ILE A 0 34 . 4.812 -3.426 -22.171 1.00 58.25 34 A 1 ATOM 255 C CB . ILE A 0 34 . 4.080 -1.587 -20.533 1.00 58.25 34 A 1 ATOM 256 O O . ILE A 0 34 . 4.382 -3.331 -23.321 1.00 58.25 34 A 1 ATOM 257 C CG1 . ILE A 0 34 . 3.001 -1.217 -19.485 1.00 58.25 34 A 1 ATOM 258 C CG2 . ILE A 0 34 . 3.972 -0.630 -21.737 1.00 58.25 34 A 1 ATOM 259 C CD1 . ILE A 0 34 . 3.292 0.086 -18.727 1.00 58.25 34 A 1 ATOM 260 N N . VAL A 0 35 . 6.041 -3.896 -21.939 1.00 57.91 35 A 1 ATOM 261 C CA . VAL A 0 35 . 6.963 -4.257 -23.033 1.00 57.91 35 A 1 ATOM 262 C C . VAL A 0 35 . 6.607 -5.585 -23.704 1.00 57.91 35 A 1 ATOM 263 C CB . VAL A 0 35 . 8.452 -4.231 -22.612 1.00 57.91 35 A 1 ATOM 264 O O . VAL A 0 35 . 6.939 -5.783 -24.876 1.00 57.91 35 A 1 ATOM 265 C CG1 . VAL A 0 35 . 9.165 -3.075 -23.324 1.00 57.91 35 A 1 ATOM 266 C CG2 . VAL A 0 35 . 8.702 -4.091 -21.105 1.00 57.91 35 A 1 ATOM 267 N N . ASN A 0 36 . 5.886 -6.478 -23.018 1.00 57.36 36 A 1 ATOM 268 C CA . ASN A 0 36 . 5.532 -7.789 -23.567 1.00 57.36 36 A 1 ATOM 269 C C . ASN A 0 36 . 4.222 -7.821 -24.358 1.00 57.36 36 A 1 ATOM 270 C CB . ASN A 0 36 . 5.605 -8.858 -22.464 1.00 57.36 36 A 1 ATOM 271 O O . ASN A 0 36 . 3.979 -8.790 -25.073 1.00 57.36 36 A 1 ATOM 272 C CG . ASN A 0 36 . 6.967 -9.529 -22.393 1.00 57.36 36 A 1 ATOM 273 N ND2 . ASN A 0 36 . 7.298 -10.099 -21.261 1.00 57.36 36 A 1 ATOM 274 O OD1 . ASN A 0 36 . 7.738 -9.576 -23.343 1.00 57.36 36 A 1 ATOM 275 N N . THR A 0 37 . 3.418 -6.756 -24.354 1.00 55.40 37 A 1 ATOM 276 C CA . THR A 0 37 . 2.244 -6.678 -25.244 1.00 55.40 37 A 1 ATOM 277 C C . THR A 0 37 . 2.585 -6.202 -26.668 1.00 55.40 37 A 1 ATOM 278 C CB . THR A 0 37 . 1.075 -5.895 -24.611 1.00 55.40 37 A 1 ATOM 279 O O . THR A 0 37 . 1.715 -6.157 -27.534 1.00 55.40 37 A 1 ATOM 280 C CG2 . THR A 0 37 . -0.089 -6.829 -24.279 1.00 55.40 37 A 1 ATOM 281 O OG1 . THR A 0 37 . 1.434 -5.235 -23.414 1.00 55.40 37 A 1 ATOM 282 N N . GLY A 0 38 . 3.861 -5.901 -26.960 1.00 62.28 38 A 1 ATOM 283 C CA . GLY A 0 38 . 4.315 -5.346 -28.246 1.00 62.28 38 A 1 ATOM 284 C C . GLY A 0 38 . 4.739 -6.338 -29.345 1.00 62.28 38 A 1 ATOM 285 O O . GLY A 0 38 . 5.053 -5.906 -30.460 1.00 62.28 38 A 1 ATOM 286 N N . ARG A 0 39 . 4.771 -7.654 -29.093 1.00 61.53 39 A 1 ATOM 287 C CA . ARG A 0 39 . 5.235 -8.666 -30.071 1.00 61.53 39 A 1 ATOM 288 C C . ARG A 0 39 . 4.112 -9.656 -30.401 1.00 61.53 39 A 1 ATOM 289 C CB . ARG A 0 39 . 6.510 -9.352 -29.543 1.00 61.53 39 A 1 ATOM 290 O O . ARG A 0 39 . 3.942 -10.665 -29.740 1.00 61.53 39 A 1 ATOM 291 C CG . ARG A 0 39 . 7.740 -8.426 -29.593 1.00 61.53 39 A 1 ATOM 292 C CD . ARG A 0 39 . 8.999 -9.163 -29.108 1.00 61.53 39 A 1 ATOM 293 N NE . ARG A 0 39 . 10.239 -8.439 -29.468 1.00 61.53 39 A 1 ATOM 294 N NH1 . ARG A 0 39 . 11.011 -7.947 -27.353 1.00 61.53 39 A 1 ATOM 295 N NH2 . ARG A 0 39 . 12.232 -7.392 -29.132 1.00 61.53 39 A 1 ATOM 296 C CZ . ARG A 0 39 . 11.147 -7.933 -28.649 1.00 61.53 39 A 1 ATOM 297 N N . ARG A 0 40 . 3.202 -9.304 -31.313 1.00 55.24 40 A 1 ATOM 298 C CA . ARG A 0 40 . 3.191 -9.761 -32.721 1.00 55.24 40 A 1 ATOM 299 C C . ARG A 0 40 . 3.540 -11.246 -32.922 1.00 55.24 40 A 1 ATOM 300 C CB . ARG A 0 40 . 4.121 -8.910 -33.612 1.00 55.24 40 A 1 ATOM 301 O O . ARG A 0 40 . 4.708 -11.607 -32.893 1.00 55.24 40 A 1 ATOM 302 C CG . ARG A 0 40 . 3.600 -7.502 -33.929 1.00 55.24 40 A 1 ATOM 303 C CD . ARG A 0 40 . 4.556 -6.820 -34.922 1.00 55.24 40 A 1 ATOM 304 N NE . ARG A 0 40 . 3.964 -5.619 -35.547 1.00 55.24 40 A 1 ATOM 305 N NH1 . ARG A 0 40 . 4.875 -4.021 -34.165 1.00 55.24 40 A 1 ATOM 306 N NH2 . ARG A 0 40 . 3.646 -3.392 -35.912 1.00 55.24 40 A 1 ATOM 307 C CZ . ARG A 0 40 . 4.166 -4.357 -35.204 1.00 55.24 40 A 1 ATOM 308 N N . SER A 0 41 . 2.578 -12.008 -33.435 1.00 60.99 41 A 1 ATOM 309 C CA . SER A 0 41 . 2.725 -12.561 -34.787 1.00 60.99 41 A 1 ATOM 310 C C . SER A 0 41 . 1.357 -12.594 -35.472 1.00 60.99 41 A 1 ATOM 311 C CB . SER A 0 41 . 3.451 -13.915 -34.806 1.00 60.99 41 A 1 ATOM 312 O O . SER A 0 41 . 0.412 -13.210 -34.999 1.00 60.99 41 A 1 ATOM 313 O OG . SER A 0 41 . 2.880 -14.852 -33.929 1.00 60.99 41 A 1 ATOM 314 N N . LYS A 0 42 . 1.230 -11.830 -36.563 1.00 57.45 42 A 1 ATOM 315 C CA . LYS A 0 42 . 0.179 -12.048 -37.556 1.00 57.45 42 A 1 ATOM 316 C C . LYS A 0 42 . 0.504 -13.383 -38.224 1.00 57.45 42 A 1 ATOM 317 C CB . LYS A 0 42 . 0.199 -10.935 -38.627 1.00 57.45 42 A 1 ATOM 318 O O . LYS A 0 42 . 1.489 -13.421 -38.960 1.00 57.45 42 A 1 ATOM 319 C CG . LYS A 0 42 . -0.452 -9.608 -38.219 1.00 57.45 42 A 1 ATOM 320 C CD . LYS A 0 42 . -0.303 -8.583 -39.359 1.00 57.45 42 A 1 ATOM 321 C CE . LYS A 0 42 . -1.147 -7.332 -39.082 1.00 57.45 42 A 1 ATOM 322 N NZ . LYS A 0 42 . -0.958 -6.289 -40.124 1.00 57.45 42 A 1 ATOM 323 N N . LYS A 0 43 . -0.275 -14.425 -37.958 1.00 52.83 43 A 1 ATOM 324 C CA . LYS A 0 43 . -0.578 -15.517 -38.889 1.00 52.83 43 A 1 ATOM 325 C C . LYS A 0 43 . -1.785 -16.279 -38.373 1.00 52.83 43 A 1 ATOM 326 C CB . LYS A 0 43 . 0.621 -16.449 -39.125 1.00 52.83 43 A 1 ATOM 327 O O . LYS A 0 43 . -1.718 -16.733 -37.215 1.00 52.83 43 A 1 ATOM 328 C CG . LYS A 0 43 . 1.192 -16.195 -40.527 1.00 52.83 43 A 1 ATOM 329 C CD . LYS A 0 43 . 2.358 -17.130 -40.832 1.00 52.83 43 A 1 ATOM 330 C CE . LYS A 0 43 . 2.960 -16.741 -42.187 1.00 52.83 43 A 1 ATOM 331 N NZ . LYS A 0 43 . 3.978 -17.727 -42.624 1.00 52.83 43 A 1 ATOM 332 O OXT . LYS A 0 43 . -2.747 -16.301 -39.160 1.00 52.83 43 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 59.83 # loop_ _atom_type.symbol C N O S #