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 LEU 0 3 LEU 0 4 LEU 0 5 PHE 0 6 THR 0 7 LEU 0 8 LYS 0 9 GLN 0 10 LYS 0 11 TYR 0 12 ASN 0 13 SER 0 14 THR 0 15 LEU 0 16 SER 0 17 HIS 0 18 CYS 0 19 GLN 0 20 SER 0 21 ALA 0 22 VAL 0 23 ASN 0 24 LEU 0 25 TYR 0 26 SER 0 27 TYR 0 28 ILE 0 29 TYR 0 30 ILE 0 31 VAL 0 32 LYS 0 33 TRP 0 34 CYS 0 35 ILE # 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 . -19.773 -10.569 20.479 1.00 60.77 1 A 1 ATOM 2 C CA . MET A 0 1 . -18.732 -10.889 19.471 1.00 60.77 1 A 1 ATOM 3 C C . MET A 0 1 . -18.944 -10.245 18.086 1.00 60.77 1 A 1 ATOM 4 C CB . MET A 0 1 . -18.553 -12.416 19.351 1.00 60.77 1 A 1 ATOM 5 O O . MET A 0 1 . -18.154 -10.517 17.198 1.00 60.77 1 A 1 ATOM 6 C CG . MET A 0 1 . -17.315 -12.897 20.112 1.00 60.77 1 A 1 ATOM 7 S SD . MET A 0 1 . -16.991 -14.649 19.808 1.00 60.77 1 A 1 ATOM 8 C CE . MET A 0 1 . -15.437 -14.881 20.712 1.00 60.77 1 A 1 ATOM 9 N N . LEU A 0 2 . -19.926 -9.353 17.870 1.00 66.16 2 A 1 ATOM 10 C CA . LEU A 0 2 . -20.165 -8.736 16.546 1.00 66.16 2 A 1 ATOM 11 C C . LEU A 0 2 . -19.298 -7.488 16.264 1.00 66.16 2 A 1 ATOM 12 C CB . LEU A 0 2 . -21.671 -8.425 16.425 1.00 66.16 2 A 1 ATOM 13 O O . LEU A 0 2 . -18.906 -7.254 15.125 1.00 66.16 2 A 1 ATOM 14 C CG . LEU A 0 2 . -22.535 -9.688 16.214 1.00 66.16 2 A 1 ATOM 15 C CD1 . LEU A 0 2 . -23.973 -9.439 16.659 1.00 66.16 2 A 1 ATOM 16 C CD2 . LEU A 0 2 . -22.544 -10.116 14.746 1.00 66.16 2 A 1 ATOM 17 N N . LEU A 0 3 . -18.932 -6.717 17.295 1.00 68.44 3 A 1 ATOM 18 C CA . LEU A 0 3 . -18.191 -5.452 17.140 1.00 68.44 3 A 1 ATOM 19 C C . LEU A 0 3 . -16.750 -5.629 16.626 1.00 68.44 3 A 1 ATOM 20 C CB . LEU A 0 3 . -18.199 -4.706 18.489 1.00 68.44 3 A 1 ATOM 21 O O . LEU A 0 3 . -16.234 -4.774 15.916 1.00 68.44 3 A 1 ATOM 22 C CG . LEU A 0 3 . -19.573 -4.129 18.885 1.00 68.44 3 A 1 ATOM 23 C CD1 . LEU A 0 3 . -19.581 -3.761 20.367 1.00 68.44 3 A 1 ATOM 24 C CD2 . LEU A 0 3 . -19.915 -2.879 18.073 1.00 68.44 3 A 1 ATOM 25 N N . LEU A 0 4 . -16.094 -6.750 16.937 1.00 71.53 4 A 1 ATOM 26 C CA . LEU A 0 4 . -14.725 -7.016 16.473 1.00 71.53 4 A 1 ATOM 27 C C . LEU A 0 4 . -14.673 -7.372 14.978 1.00 71.53 4 A 1 ATOM 28 C CB . LEU A 0 4 . -14.108 -8.133 17.333 1.00 71.53 4 A 1 ATOM 29 O O . LEU A 0 4 . -13.673 -7.108 14.312 1.00 71.53 4 A 1 ATOM 30 C CG . LEU A 0 4 . -13.833 -7.723 18.794 1.00 71.53 4 A 1 ATOM 31 C CD1 . LEU A 0 4 . -13.474 -8.963 19.612 1.00 71.53 4 A 1 ATOM 32 C CD2 . LEU A 0 4 . -12.682 -6.722 18.903 1.00 71.53 4 A 1 ATOM 33 N N . PHE A 0 5 . -15.751 -7.945 14.439 1.00 76.63 5 A 1 ATOM 34 C CA . PHE A 0 5 . -15.831 -8.319 13.029 1.00 76.63 5 A 1 ATOM 35 C C . PHE A 0 5 . -15.975 -7.087 12.130 1.00 76.63 5 A 1 ATOM 36 C CB . PHE A 0 5 . -16.991 -9.302 12.851 1.00 76.63 5 A 1 ATOM 37 O O . PHE A 0 5 . -15.266 -6.961 11.131 1.00 76.63 5 A 1 ATOM 38 C CG . PHE A 0 5 . -17.076 -9.898 11.463 1.00 76.63 5 A 1 ATOM 39 C CD1 . PHE A 0 5 . -18.079 -9.475 10.575 1.00 76.63 5 A 1 ATOM 40 C CD2 . PHE A 0 5 . -16.177 -10.909 11.073 1.00 76.63 5 A 1 ATOM 41 C CE1 . PHE A 0 5 . -18.208 -10.094 9.323 1.00 76.63 5 A 1 ATOM 42 C CE2 . PHE A 0 5 . -16.279 -11.494 9.799 1.00 76.63 5 A 1 ATOM 43 C CZ . PHE A 0 5 . -17.298 -11.088 8.922 1.00 76.63 5 A 1 ATOM 44 N N . THR A 0 6 . -16.813 -6.126 12.530 1.00 77.64 6 A 1 ATOM 45 C CA . THR A 0 6 . -17.014 -4.881 11.773 1.00 77.64 6 A 1 ATOM 46 C C . THR A 0 6 . -15.765 -3.999 11.762 1.00 77.64 6 A 1 ATOM 47 C CB . THR A 0 6 . -18.211 -4.087 12.313 1.00 77.64 6 A 1 ATOM 48 O O . THR A 0 6 . -15.451 -3.403 10.731 1.00 77.64 6 A 1 ATOM 49 C CG2 . THR A 0 6 . -19.527 -4.844 12.146 1.00 77.64 6 A 1 ATOM 50 O OG1 . THR A 0 6 . -18.060 -3.833 13.688 1.00 77.64 6 A 1 ATOM 51 N N . LEU A 0 7 . -14.998 -3.959 12.860 1.00 74.65 7 A 1 ATOM 52 C CA . LEU A 0 7 . -13.713 -3.252 12.899 1.00 74.65 7 A 1 ATOM 53 C C . LEU A 0 7 . -12.686 -3.874 11.940 1.00 74.65 7 A 1 ATOM 54 C CB . LEU A 0 7 . -13.177 -3.211 14.342 1.00 74.65 7 A 1 ATOM 55 O O . LEU A 0 7 . -12.044 -3.141 11.187 1.00 74.65 7 A 1 ATOM 56 C CG . LEU A 0 7 . -13.970 -2.297 15.296 1.00 74.65 7 A 1 ATOM 57 C CD1 . LEU A 0 7 . -13.430 -2.466 16.716 1.00 74.65 7 A 1 ATOM 58 C CD2 . LEU A 0 7 . -13.864 -0.818 14.914 1.00 74.65 7 A 1 ATOM 59 N N . LYS A 0 8 . -12.576 -5.212 11.897 1.00 75.06 8 A 1 ATOM 60 C CA . LYS A 0 8 . -11.690 -5.901 10.941 1.00 75.06 8 A 1 ATOM 61 C C . LYS A 0 8 . -12.103 -5.668 9.486 1.00 75.06 8 A 1 ATOM 62 C CB . LYS A 0 8 . -11.612 -7.408 11.240 1.00 75.06 8 A 1 ATOM 63 O O . LYS A 0 8 . -11.236 -5.437 8.649 1.00 75.06 8 A 1 ATOM 64 C CG . LYS A 0 8 . -10.634 -7.724 12.382 1.00 75.06 8 A 1 ATOM 65 C CD . LYS A 0 8 . -10.370 -9.235 12.469 1.00 75.06 8 A 1 ATOM 66 C CE . LYS A 0 8 . -9.293 -9.531 13.520 1.00 75.06 8 A 1 ATOM 67 N NZ . LYS A 0 8 . -8.906 -10.966 13.530 1.00 75.06 8 A 1 ATOM 68 N N . GLN A 0 9 . -13.402 -5.682 9.182 1.00 75.95 9 A 1 ATOM 69 C CA . GLN A 0 9 . -13.890 -5.404 7.827 1.00 75.95 9 A 1 ATOM 70 C C . GLN A 0 9 . -13.565 -3.979 7.371 1.00 75.95 9 A 1 ATOM 71 C CB . GLN A 0 9 . -15.400 -5.630 7.747 1.00 75.95 9 A 1 ATOM 72 O O . GLN A 0 9 . -13.067 -3.796 6.260 1.00 75.95 9 A 1 ATOM 73 C CG . GLN A 0 9 . -15.781 -7.114 7.723 1.00 75.95 9 A 1 ATOM 74 C CD . GLN A 0 9 . -17.265 -7.291 7.428 1.00 75.95 9 A 1 ATOM 75 N NE2 . GLN A 0 9 . -17.675 -8.438 6.949 1.00 75.95 9 A 1 ATOM 76 O OE1 . GLN A 0 9 . -18.082 -6.401 7.586 1.00 75.95 9 A 1 ATOM 77 N N . LYS A 0 10 . -13.789 -2.976 8.235 1.00 77.60 10 A 1 ATOM 78 C CA . LYS A 0 10 . -13.423 -1.586 7.926 1.00 77.60 10 A 1 ATOM 79 C C . LYS A 0 10 . -11.923 -1.447 7.689 1.00 77.60 10 A 1 ATOM 80 C CB . LYS A 0 10 . -13.883 -0.630 9.035 1.00 77.60 10 A 1 ATOM 81 O O . LYS A 0 10 . -11.530 -0.838 6.703 1.00 77.60 10 A 1 ATOM 82 C CG . LYS A 0 10 . -15.396 -0.381 8.987 1.00 77.60 10 A 1 ATOM 83 C CD . LYS A 0 10 . -15.786 0.729 9.970 1.00 77.60 10 A 1 ATOM 84 C CE . LYS A 0 10 . -17.294 0.996 9.894 1.00 77.60 10 A 1 ATOM 85 N NZ . LYS A 0 10 . -17.682 2.182 10.702 1.00 77.60 10 A 1 ATOM 86 N N . TYR A 0 11 . -11.102 -2.062 8.541 1.00 80.67 11 A 1 ATOM 87 C CA . TYR A 0 11 . -9.650 -2.025 8.385 1.00 80.67 11 A 1 ATOM 88 C C . TYR A 0 11 . -9.192 -2.645 7.057 1.00 80.67 11 A 1 ATOM 89 C CB . TYR A 0 11 . -8.998 -2.718 9.585 1.00 80.67 11 A 1 ATOM 90 O O . TYR A 0 11 . -8.387 -2.045 6.350 1.00 80.67 11 A 1 ATOM 91 C CG . TYR A 0 11 . -7.496 -2.532 9.622 1.00 80.67 11 A 1 ATOM 92 C CD1 . TYR A 0 11 . -6.645 -3.518 9.086 1.00 80.67 11 A 1 ATOM 93 C CD2 . TYR A 0 11 . -6.955 -1.347 10.158 1.00 80.67 11 A 1 ATOM 94 C CE1 . TYR A 0 11 . -5.251 -3.322 9.098 1.00 80.67 11 A 1 ATOM 95 C CE2 . TYR A 0 11 . -5.562 -1.147 10.167 1.00 80.67 11 A 1 ATOM 96 O OH . TYR A 0 11 . -3.362 -1.959 9.640 1.00 80.67 11 A 1 ATOM 97 C CZ . TYR A 0 11 . -4.708 -2.138 9.636 1.00 80.67 11 A 1 ATOM 98 N N . ASN A 0 12 . -9.750 -3.797 6.673 1.00 77.14 12 A 1 ATOM 99 C CA . ASN A 0 12 . -9.373 -4.472 5.430 1.00 77.14 12 A 1 ATOM 100 C C . ASN A 0 12 . -9.823 -3.704 4.176 1.00 77.14 12 A 1 ATOM 101 C CB . ASN A 0 12 . -9.940 -5.901 5.455 1.00 77.14 12 A 1 ATOM 102 O O . ASN A 0 12 . -9.088 -3.633 3.194 1.00 77.14 12 A 1 ATOM 103 C CG . ASN A 0 12 . -9.193 -6.800 4.488 1.00 77.14 12 A 1 ATOM 104 N ND2 . ASN A 0 12 . -9.877 -7.585 3.691 1.00 77.14 12 A 1 ATOM 105 O OD1 . ASN A 0 12 . -7.979 -6.835 4.466 1.00 77.14 12 A 1 ATOM 106 N N . SER A 0 13 . -11.005 -3.083 4.226 1.00 80.11 13 A 1 ATOM 107 C CA . SER A 0 13 . -11.482 -2.213 3.146 1.00 80.11 13 A 1 ATOM 108 C C . SER A 0 13 . -10.560 -1.005 2.968 1.00 80.11 13 A 1 ATOM 109 C CB . SER A 0 13 . -12.919 -1.771 3.428 1.00 80.11 13 A 1 ATOM 110 O O . SER A 0 13 . -10.060 -0.759 1.869 1.00 80.11 13 A 1 ATOM 111 O OG . SER A 0 13 . -13.390 -1.049 2.314 1.00 80.11 13 A 1 ATOM 112 N N . THR A 0 14 . -10.234 -0.305 4.061 1.00 80.86 14 A 1 ATOM 113 C CA . THR A 0 14 . -9.308 0.835 4.021 1.00 80.86 14 A 1 ATOM 114 C C . THR A 0 14 . -7.927 0.428 3.509 1.00 80.86 14 A 1 ATOM 115 C CB . THR A 0 14 . -9.180 1.490 5.402 1.00 80.86 14 A 1 ATOM 116 O O . THR A 0 14 . -7.359 1.140 2.685 1.00 80.86 14 A 1 ATOM 117 C CG2 . THR A 0 14 . -8.362 2.781 5.366 1.00 80.86 14 A 1 ATOM 118 O OG1 . THR A 0 14 . -10.450 1.859 5.885 1.00 80.86 14 A 1 ATOM 119 N N . LEU A 0 15 . -7.406 -0.734 3.924 1.00 82.14 15 A 1 ATOM 120 C CA . LEU A 0 15 . -6.131 -1.256 3.426 1.00 82.14 15 A 1 ATOM 121 C C . LEU A 0 15 . -6.172 -1.488 1.907 1.00 82.14 15 A 1 ATOM 122 C CB . LEU A 0 15 . -5.786 -2.561 4.166 1.00 82.14 15 A 1 ATOM 123 O O . LEU A 0 15 . -5.246 -1.089 1.207 1.00 82.14 15 A 1 ATOM 124 C CG . LEU A 0 15 . -4.311 -2.973 3.970 1.00 82.14 15 A 1 ATOM 125 C CD1 . LEU A 0 15 . -3.431 -2.367 5.066 1.00 82.14 15 A 1 ATOM 126 C CD2 . LEU A 0 15 . -4.167 -4.492 4.011 1.00 82.14 15 A 1 ATOM 127 N N . SER A 0 16 . -7.259 -2.068 1.389 1.00 80.60 16 A 1 ATOM 128 C CA . SER A 0 16 . -7.444 -2.290 -0.052 1.00 80.60 16 A 1 ATOM 129 C C . SER A 0 16 . -7.492 -0.975 -0.835 1.00 80.60 16 A 1 ATOM 130 C CB . SER A 0 16 . -8.729 -3.087 -0.291 1.00 80.60 16 A 1 ATOM 131 O O . SER A 0 16 . -6.864 -0.858 -1.889 1.00 80.60 16 A 1 ATOM 132 O OG . SER A 0 16 . -8.832 -3.463 -1.651 1.00 80.60 16 A 1 ATOM 133 N N . HIS A 0 17 . -8.203 0.033 -0.319 1.00 81.67 17 A 1 ATOM 134 C CA . HIS A 0 17 . -8.251 1.360 -0.937 1.00 81.67 17 A 1 ATOM 135 C C . HIS A 0 17 . -6.877 2.048 -0.916 1.00 81.67 17 A 1 ATOM 136 C CB . HIS A 0 17 . -9.329 2.214 -0.256 1.00 81.67 17 A 1 ATOM 137 O O . HIS A 0 17 . -6.451 2.576 -1.944 1.00 81.67 17 A 1 ATOM 138 C CG . HIS A 0 17 . -10.732 1.817 -0.647 1.00 81.67 17 A 1 ATOM 139 C CD2 . HIS A 0 17 . -11.688 1.246 0.151 1.00 81.67 17 A 1 ATOM 140 N ND1 . HIS A 0 17 . -11.304 2.003 -1.885 1.00 81.67 17 A 1 ATOM 141 C CE1 . HIS A 0 17 . -12.566 1.546 -1.836 1.00 81.67 17 A 1 ATOM 142 N NE2 . HIS A 0 17 . -12.847 1.077 -0.613 1.00 81.67 17 A 1 ATOM 143 N N . CYS A 0 18 . -6.147 1.978 0.203 1.00 81.73 18 A 1 ATOM 144 C CA . CYS A 0 18 . -4.778 2.487 0.294 1.00 81.73 18 A 1 ATOM 145 C C . CYS A 0 18 . -3.834 1.765 -0.673 1.00 81.73 18 A 1 ATOM 146 C CB . CYS A 0 18 . -4.264 2.371 1.736 1.00 81.73 18 A 1 ATOM 147 O O . CYS A 0 18 . -3.076 2.429 -1.373 1.00 81.73 18 A 1 ATOM 148 S SG . CYS A 0 18 . -4.789 3.821 2.694 1.00 81.73 18 A 1 ATOM 149 N N . GLN A 0 19 . -3.899 0.435 -0.771 1.00 83.98 19 A 1 ATOM 150 C CA . GLN A 0 19 . -3.046 -0.330 -1.683 1.00 83.98 19 A 1 ATOM 151 C C . GLN A 0 19 . -3.326 0.024 -3.146 1.00 83.98 19 A 1 ATOM 152 C CB . GLN A 0 19 . -3.246 -1.834 -1.434 1.00 83.98 19 A 1 ATOM 153 O O . GLN A 0 19 . -2.391 0.200 -3.926 1.00 83.98 19 A 1 ATOM 154 C CG . GLN A 0 19 . -2.220 -2.694 -2.192 1.00 83.98 19 A 1 ATOM 155 C CD . GLN A 0 19 . -0.784 -2.426 -1.745 1.00 83.98 19 A 1 ATOM 156 N NE2 . GLN A 0 19 . 0.172 -2.413 -2.646 1.00 83.98 19 A 1 ATOM 157 O OE1 . GLN A 0 19 . -0.496 -2.217 -0.581 1.00 83.98 19 A 1 ATOM 158 N N . SER A 0 20 . -4.602 0.180 -3.516 1.00 83.23 20 A 1 ATOM 159 C CA . SER A 0 20 . -4.982 0.610 -4.864 1.00 83.23 20 A 1 ATOM 160 C C . SER A 0 20 . -4.468 2.016 -5.173 1.00 83.23 20 A 1 ATOM 161 C CB . SER A 0 20 . -6.501 0.570 -5.027 1.00 83.23 20 A 1 ATOM 162 O O . SER A 0 20 . -3.956 2.245 -6.268 1.00 83.23 20 A 1 ATOM 163 O OG . SER A 0 20 . -6.844 0.767 -6.385 1.00 83.23 20 A 1 ATOM 164 N N . ALA A 0 21 . -4.574 2.948 -4.220 1.00 83.93 21 A 1 ATOM 165 C CA . ALA A 0 21 . -4.054 4.302 -4.379 1.00 83.93 21 A 1 ATOM 166 C C . ALA A 0 21 . -2.524 4.296 -4.509 1.00 83.93 21 A 1 ATOM 167 C CB . ALA A 0 21 . -4.535 5.164 -3.206 1.00 83.93 21 A 1 ATOM 168 O O . ALA A 0 21 . -1.998 4.872 -5.454 1.00 83.93 21 A 1 ATOM 169 N N . VAL A 0 22 . -1.809 3.596 -3.622 1.00 85.95 22 A 1 ATOM 170 C CA . VAL A 0 22 . -0.341 3.474 -3.669 1.00 85.95 22 A 1 ATOM 171 C C . VAL A 0 22 . 0.117 2.857 -4.988 1.00 85.95 22 A 1 ATOM 172 C CB . VAL A 0 22 . 0.183 2.657 -2.470 1.00 85.95 22 A 1 ATOM 173 O O . VAL A 0 22 . 1.059 3.365 -5.589 1.00 85.95 22 A 1 ATOM 174 C CG1 . VAL A 0 22 . 1.675 2.313 -2.588 1.00 85.95 22 A 1 ATOM 175 C CG2 . VAL A 0 22 . 0.015 3.448 -1.165 1.00 85.95 22 A 1 ATOM 176 N N . ASN A 0 23 . -0.563 1.817 -5.477 1.00 85.53 23 A 1 ATOM 177 C CA . ASN A 0 23 . -0.227 1.202 -6.758 1.00 85.53 23 A 1 ATOM 178 C C . ASN A 0 23 . -0.455 2.166 -7.931 1.00 85.53 23 A 1 ATOM 179 C CB . ASN A 0 23 . -1.035 -0.094 -6.924 1.00 85.53 23 A 1 ATOM 180 O O . ASN A 0 23 . 0.396 2.271 -8.808 1.00 85.53 23 A 1 ATOM 181 C CG . ASN A 0 23 . -0.505 -0.936 -8.070 1.00 85.53 23 A 1 ATOM 182 N ND2 . ASN A 0 23 . -1.362 -1.573 -8.830 1.00 85.53 23 A 1 ATOM 183 O OD1 . ASN A 0 23 . 0.686 -1.064 -8.277 1.00 85.53 23 A 1 ATOM 184 N N . LEU A 0 24 . -1.559 2.921 -7.923 1.00 85.26 24 A 1 ATOM 185 C CA . LEU A 0 24 . -1.830 3.938 -8.941 1.00 85.26 24 A 1 ATOM 186 C C . LEU A 0 24 . -0.780 5.059 -8.912 1.00 85.26 24 A 1 ATOM 187 C CB . LEU A 0 24 . -3.252 4.489 -8.730 1.00 85.26 24 A 1 ATOM 188 O O . LEU A 0 24 . -0.247 5.427 -9.955 1.00 85.26 24 A 1 ATOM 189 C CG . LEU A 0 24 . -3.712 5.446 -9.845 1.00 85.26 24 A 1 ATOM 190 C CD1 . LEU A 0 24 . -3.967 4.706 -11.160 1.00 85.26 24 A 1 ATOM 191 C CD2 . LEU A 0 24 . -5.005 6.144 -9.424 1.00 85.26 24 A 1 ATOM 192 N N . TYR A 0 25 . -0.440 5.568 -7.725 1.00 86.59 25 A 1 ATOM 193 C CA . TYR A 0 25 . 0.606 6.580 -7.557 1.00 86.59 25 A 1 ATOM 194 C C . TYR A 0 25 . 1.978 6.061 -7.996 1.00 86.59 25 A 1 ATOM 195 C CB . TYR A 0 25 . 0.653 7.062 -6.098 1.00 86.59 25 A 1 ATOM 196 O O . TYR A 0 25 . 2.701 6.770 -8.694 1.00 86.59 25 A 1 ATOM 197 C CG . TYR A 0 25 . -0.284 8.218 -5.805 1.00 86.59 25 A 1 ATOM 198 C CD1 . TYR A 0 25 . 0.051 9.510 -6.256 1.00 86.59 25 A 1 ATOM 199 C CD2 . TYR A 0 25 . -1.473 8.024 -5.077 1.00 86.59 25 A 1 ATOM 200 C CE1 . TYR A 0 25 . -0.805 10.597 -5.994 1.00 86.59 25 A 1 ATOM 201 C CE2 . TYR A 0 25 . -2.343 9.100 -4.831 1.00 86.59 25 A 1 ATOM 202 O OH . TYR A 0 25 . -2.846 11.426 -5.034 1.00 86.59 25 A 1 ATOM 203 C CZ . TYR A 0 25 . -2.009 10.388 -5.288 1.00 86.59 25 A 1 ATOM 204 N N . SER A 0 26 . 2.327 4.825 -7.632 1.00 85.29 26 A 1 ATOM 205 C CA . SER A 0 26 . 3.579 4.187 -8.042 1.00 85.29 26 A 1 ATOM 206 C C . SER A 0 26 . 3.629 3.995 -9.556 1.00 85.29 26 A 1 ATOM 207 C CB . SER A 0 26 . 3.749 2.852 -7.314 1.00 85.29 26 A 1 ATOM 208 O O . SER A 0 26 . 4.623 4.361 -10.176 1.00 85.29 26 A 1 ATOM 209 O OG . SER A 0 26 . 5.016 2.293 -7.594 1.00 85.29 26 A 1 ATOM 210 N N . TYR A 0 27 . 2.535 3.535 -10.168 1.00 86.71 27 A 1 ATOM 211 C CA . TYR A 0 27 . 2.416 3.406 -11.617 1.00 86.71 27 A 1 ATOM 212 C C . TYR A 0 27 . 2.601 4.752 -12.326 1.00 86.71 27 A 1 ATOM 213 C CB . TYR A 0 27 . 1.063 2.773 -11.961 1.00 86.71 27 A 1 ATOM 214 O O . TYR A 0 27 . 3.425 4.853 -13.228 1.00 86.71 27 A 1 ATOM 215 C CG . TYR A 0 27 . 0.844 2.609 -13.450 1.00 86.71 27 A 1 ATOM 216 C CD1 . TYR A 0 27 . 0.034 3.521 -14.154 1.00 86.71 27 A 1 ATOM 217 C CD2 . TYR A 0 27 . 1.485 1.559 -14.135 1.00 86.71 27 A 1 ATOM 218 C CE1 . TYR A 0 27 . -0.142 3.376 -15.543 1.00 86.71 27 A 1 ATOM 219 C CE2 . TYR A 0 27 . 1.317 1.415 -15.524 1.00 86.71 27 A 1 ATOM 220 O OH . TYR A 0 27 . 0.338 2.201 -17.572 1.00 86.71 27 A 1 ATOM 221 C CZ . TYR A 0 27 . 0.500 2.325 -16.230 1.00 86.71 27 A 1 ATOM 222 N N . ILE A 0 28 . 1.912 5.809 -11.879 1.00 87.41 28 A 1 ATOM 223 C CA . ILE A 0 28 . 2.056 7.159 -12.449 1.00 87.41 28 A 1 ATOM 224 C C . ILE A 0 28 . 3.499 7.660 -12.311 1.00 87.41 28 A 1 ATOM 225 C CB . ILE A 0 28 . 1.052 8.134 -11.787 1.00 87.41 28 A 1 ATOM 226 O O . ILE A 0 28 . 4.034 8.246 -13.250 1.00 87.41 28 A 1 ATOM 227 C CG1 . ILE A 0 28 . -0.396 7.771 -12.189 1.00 87.41 28 A 1 ATOM 228 C CG2 . ILE A 0 28 . 1.338 9.599 -12.180 1.00 87.41 28 A 1 ATOM 229 C CD1 . ILE A 0 28 . -1.462 8.438 -11.308 1.00 87.41 28 A 1 ATOM 230 N N . TYR A 0 29 . 4.140 7.428 -11.163 1.00 86.15 29 A 1 ATOM 231 C CA . TYR A 0 29 . 5.520 7.853 -10.930 1.00 86.15 29 A 1 ATOM 232 C C . TYR A 0 29 . 6.520 7.103 -11.820 1.00 86.15 29 A 1 ATOM 233 C CB . TYR A 0 29 . 5.854 7.692 -9.444 1.00 86.15 29 A 1 ATOM 234 O O . TYR A 0 29 . 7.384 7.733 -12.425 1.00 86.15 29 A 1 ATOM 235 C CG . TYR A 0 29 . 7.193 8.293 -9.072 1.00 86.15 29 A 1 ATOM 236 C CD1 . TYR A 0 29 . 8.343 7.482 -9.013 1.00 86.15 29 A 1 ATOM 237 C CD2 . TYR A 0 29 . 7.291 9.674 -8.811 1.00 86.15 29 A 1 ATOM 238 C CE1 . TYR A 0 29 . 9.587 8.050 -8.681 1.00 86.15 29 A 1 ATOM 239 C CE2 . TYR A 0 29 . 8.536 10.247 -8.489 1.00 86.15 29 A 1 ATOM 240 O OH . TYR A 0 29 . 10.893 9.971 -8.107 1.00 86.15 29 A 1 ATOM 241 C CZ . TYR A 0 29 . 9.687 9.432 -8.424 1.00 86.15 29 A 1 ATOM 242 N N . ILE A 0 30 . 6.370 5.780 -11.951 1.00 84.88 30 A 1 ATOM 243 C CA . ILE A 0 30 . 7.207 4.949 -12.829 1.00 84.88 30 A 1 ATOM 244 C C . ILE A 0 30 . 7.021 5.373 -14.290 1.00 84.88 30 A 1 ATOM 245 C CB . ILE A 0 30 . 6.899 3.447 -12.612 1.00 84.88 30 A 1 ATOM 246 O O . ILE A 0 30 . 8.003 5.629 -14.979 1.00 84.88 30 A 1 ATOM 247 C CG1 . ILE A 0 30 . 7.369 2.998 -11.207 1.00 84.88 30 A 1 ATOM 248 C CG2 . ILE A 0 30 . 7.586 2.578 -13.685 1.00 84.88 30 A 1 ATOM 249 C CD1 . ILE A 0 30 . 6.794 1.644 -10.768 1.00 84.88 30 A 1 ATOM 250 N N . VAL A 0 31 . 5.774 5.525 -14.750 1.00 82.32 31 A 1 ATOM 251 C CA . VAL A 0 31 . 5.476 5.962 -16.125 1.00 82.32 31 A 1 ATOM 252 C C . VAL A 0 31 . 6.060 7.347 -16.404 1.00 82.32 31 A 1 ATOM 253 C CB . VAL A 0 31 . 3.957 5.935 -16.389 1.00 82.32 31 A 1 ATOM 254 O O . VAL A 0 31 . 6.639 7.557 -17.464 1.00 82.32 31 A 1 ATOM 255 C CG1 . VAL A 0 31 . 3.573 6.576 -17.731 1.00 82.32 31 A 1 ATOM 256 C CG2 . VAL A 0 31 . 3.442 4.491 -16.430 1.00 82.32 31 A 1 ATOM 257 N N . LYS A 0 32 . 5.967 8.277 -15.445 1.00 85.22 32 A 1 ATOM 258 C CA . LYS A 0 32 . 6.517 9.632 -15.579 1.00 85.22 32 A 1 ATOM 259 C C . LYS A 0 32 . 8.049 9.668 -15.628 1.00 85.22 32 A 1 ATOM 260 C CB . LYS A 0 32 . 5.955 10.504 -14.446 1.00 85.22 32 A 1 ATOM 261 O O . LYS A 0 32 . 8.587 10.638 -16.140 1.00 85.22 32 A 1 ATOM 262 C CG . LYS A 0 32 . 6.325 11.984 -14.609 1.00 85.22 32 A 1 ATOM 263 C CD . LYS A 0 32 . 5.617 12.854 -13.570 1.00 85.22 32 A 1 ATOM 264 C CE . LYS A 0 32 . 6.015 14.310 -13.826 1.00 85.22 32 A 1 ATOM 265 N NZ . LYS A 0 32 . 5.393 15.225 -12.840 1.00 85.22 32 A 1 ATOM 266 N N . TRP A 0 33 . 8.739 8.664 -15.083 1.00 80.04 33 A 1 ATOM 267 C CA . TRP A 0 33 . 10.202 8.573 -15.157 1.00 80.04 33 A 1 ATOM 268 C C . TRP A 0 33 . 10.682 7.795 -16.396 1.00 80.04 33 A 1 ATOM 269 C CB . TRP A 0 33 . 10.733 7.977 -13.843 1.00 80.04 33 A 1 ATOM 270 O O . TRP A 0 33 . 11.801 7.997 -16.854 1.00 80.04 33 A 1 ATOM 271 C CG . TRP A 0 33 . 12.170 8.253 -13.491 1.00 80.04 33 A 1 ATOM 272 C CD1 . TRP A 0 33 . 13.103 8.856 -14.267 1.00 80.04 33 A 1 ATOM 273 C CD2 . TRP A 0 33 . 12.847 7.978 -12.226 1.00 80.04 33 A 1 ATOM 274 C CE2 . TRP A 0 33 . 14.199 8.425 -12.322 1.00 80.04 33 A 1 ATOM 275 C CE3 . TRP A 0 33 . 12.447 7.410 -10.997 1.00 80.04 33 A 1 ATOM 276 N NE1 . TRP A 0 33 . 14.304 8.932 -13.596 1.00 80.04 33 A 1 ATOM 277 C CH2 . TRP A 0 33 . 14.676 7.750 -10.052 1.00 80.04 33 A 1 ATOM 278 C CZ2 . TRP A 0 33 . 15.109 8.315 -11.262 1.00 80.04 33 A 1 ATOM 279 C CZ3 . TRP A 0 33 . 13.349 7.300 -9.921 1.00 80.04 33 A 1 ATOM 280 N N . CYS A 0 34 . 9.854 6.908 -16.956 1.00 77.62 34 A 1 ATOM 281 C CA . CYS A 0 34 . 10.204 6.157 -18.165 1.00 77.62 34 A 1 ATOM 282 C C . CYS A 0 34 . 10.073 6.953 -19.478 1.00 77.62 34 A 1 ATOM 283 C CB . CYS A 0 34 . 9.353 4.880 -18.231 1.00 77.62 34 A 1 ATOM 284 O O . CYS A 0 34 . 10.657 6.525 -20.472 1.00 77.62 34 A 1 ATOM 285 S SG . CYS A 0 34 . 9.965 3.635 -17.057 1.00 77.62 34 A 1 ATOM 286 N N . ILE A 0 35 . 9.305 8.048 -19.499 1.00 64.90 35 A 1 ATOM 287 C CA . ILE A 0 35 . 9.176 8.975 -20.643 1.00 64.90 35 A 1 ATOM 288 C C . ILE A 0 35 . 10.137 10.144 -20.441 1.00 64.90 35 A 1 ATOM 289 C CB . ILE A 0 35 . 7.714 9.453 -20.800 1.00 64.90 35 A 1 ATOM 290 O O . ILE A 0 35 . 10.850 10.482 -21.410 1.00 64.90 35 A 1 ATOM 291 C CG1 . ILE A 0 35 . 6.762 8.262 -21.057 1.00 64.90 35 A 1 ATOM 292 C CG2 . ILE A 0 35 . 7.610 10.478 -21.947 1.00 64.90 35 A 1 ATOM 293 C CD1 . ILE A 0 35 . 5.274 8.633 -21.003 1.00 64.90 35 A 1 ATOM 294 O OXT . ILE A 0 35 . 10.082 10.705 -19.326 1.00 64.90 35 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 79.65 # loop_ _atom_type.symbol C N O S #