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 GLN 0 3 GLN 0 4 THR 0 5 TYR 0 6 TRP 0 7 LEU 0 8 SER 0 9 CYS 0 10 ILE 0 11 SER 0 12 TYR 0 13 ALA 0 14 PHE 0 15 ARG 0 16 LEU 0 17 LEU 0 18 MET 0 19 HIS 0 20 LEU 0 21 ILE 0 22 CYS 0 23 TYR 0 24 VAL 0 25 CYS 0 26 TRP 0 27 VAL 0 28 LEU 0 29 GLN 0 30 VAL 0 31 PHE 0 32 ALA 0 33 GLN 0 34 HIS # 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 . 23.020 5.359 -16.116 1.00 58.55 1 A 1 ATOM 2 C CA . MET A 0 1 . 22.420 5.787 -14.829 1.00 58.55 1 A 1 ATOM 3 C C . MET A 0 1 . 20.923 5.445 -14.693 1.00 58.55 1 A 1 ATOM 4 C CB . MET A 0 1 . 22.670 7.289 -14.595 1.00 58.55 1 A 1 ATOM 5 O O . MET A 0 1 . 20.291 5.943 -13.779 1.00 58.55 1 A 1 ATOM 6 C CG . MET A 0 1 . 24.161 7.608 -14.427 1.00 58.55 1 A 1 ATOM 7 S SD . MET A 0 1 . 24.443 9.289 -13.830 1.00 58.55 1 A 1 ATOM 8 C CE . MET A 0 1 . 26.255 9.336 -13.771 1.00 58.55 1 A 1 ATOM 9 N N . GLN A 0 2 . 20.337 4.572 -15.531 1.00 68.25 2 A 1 ATOM 10 C CA . GLN A 0 2 . 18.879 4.333 -15.540 1.00 68.25 2 A 1 ATOM 11 C C . GLN A 0 2 . 18.415 3.126 -14.688 1.00 68.25 2 A 1 ATOM 12 C CB . GLN A 0 2 . 18.433 4.216 -17.007 1.00 68.25 2 A 1 ATOM 13 O O . GLN A 0 2 . 17.256 3.079 -14.286 1.00 68.25 2 A 1 ATOM 14 C CG . GLN A 0 2 . 16.984 4.671 -17.264 1.00 68.25 2 A 1 ATOM 15 C CD . GLN A 0 2 . 16.651 4.677 -18.757 1.00 68.25 2 A 1 ATOM 16 N NE2 . GLN A 0 2 . 15.601 5.344 -19.178 1.00 68.25 2 A 1 ATOM 17 O OE1 . GLN A 0 2 . 17.343 4.089 -19.569 1.00 68.25 2 A 1 ATOM 18 N N . GLN A 0 3 . 19.296 2.166 -14.368 1.00 72.18 3 A 1 ATOM 19 C CA . GLN A 0 3 . 18.903 0.943 -13.644 1.00 72.18 3 A 1 ATOM 20 C C . GLN A 0 3 . 18.581 1.174 -12.153 1.00 72.18 3 A 1 ATOM 21 C CB . GLN A 0 3 . 19.965 -0.157 -13.821 1.00 72.18 3 A 1 ATOM 22 O O . GLN A 0 3 . 17.736 0.476 -11.601 1.00 72.18 3 A 1 ATOM 23 C CG . GLN A 0 3 . 20.007 -0.719 -15.258 1.00 72.18 3 A 1 ATOM 24 C CD . GLN A 0 3 . 20.851 -1.990 -15.380 1.00 72.18 3 A 1 ATOM 25 N NE2 . GLN A 0 3 . 20.990 -2.551 -16.560 1.00 72.18 3 A 1 ATOM 26 O OE1 . GLN A 0 3 . 21.410 -2.495 -14.426 1.00 72.18 3 A 1 ATOM 27 N N . THR A 0 4 . 19.165 2.187 -11.502 1.00 79.22 4 A 1 ATOM 28 C CA . THR A 0 4 . 18.941 2.451 -10.066 1.00 79.22 4 A 1 ATOM 29 C C . THR A 0 4 . 17.513 2.918 -9.750 1.00 79.22 4 A 1 ATOM 30 C CB . THR A 0 4 . 19.961 3.476 -9.540 1.00 79.22 4 A 1 ATOM 31 O O . THR A 0 4 . 17.011 2.658 -8.659 1.00 79.22 4 A 1 ATOM 32 C CG2 . THR A 0 4 . 20.029 3.534 -8.015 1.00 79.22 4 A 1 ATOM 33 O OG1 . THR A 0 4 . 21.253 3.136 -9.996 1.00 79.22 4 A 1 ATOM 34 N N . TYR A 0 5 . 16.817 3.559 -10.696 1.00 85.16 5 A 1 ATOM 35 C CA . TYR A 0 5 . 15.459 4.070 -10.464 1.00 85.16 5 A 1 ATOM 36 C C . TYR A 0 5 . 14.436 2.955 -10.214 1.00 85.16 5 A 1 ATOM 37 C CB . TYR A 0 5 . 15.018 4.942 -11.645 1.00 85.16 5 A 1 ATOM 38 O O . TYR A 0 5 . 13.570 3.102 -9.357 1.00 85.16 5 A 1 ATOM 39 C CG . TYR A 0 5 . 15.843 6.202 -11.806 1.00 85.16 5 A 1 ATOM 40 C CD1 . TYR A 0 5 . 15.666 7.276 -10.913 1.00 85.16 5 A 1 ATOM 41 C CD2 . TYR A 0 5 . 16.788 6.301 -12.843 1.00 85.16 5 A 1 ATOM 42 C CE1 . TYR A 0 5 . 16.440 8.445 -11.048 1.00 85.16 5 A 1 ATOM 43 C CE2 . TYR A 0 5 . 17.564 7.466 -12.982 1.00 85.16 5 A 1 ATOM 44 O OH . TYR A 0 5 . 18.149 9.659 -12.229 1.00 85.16 5 A 1 ATOM 45 C CZ . TYR A 0 5 . 17.395 8.539 -12.084 1.00 85.16 5 A 1 ATOM 46 N N . TRP A 0 6 . 14.568 1.821 -10.905 1.00 86.48 6 A 1 ATOM 47 C CA . TRP A 0 6 . 13.629 0.702 -10.796 1.00 86.48 6 A 1 ATOM 48 C C . TRP A 0 6 . 13.638 0.078 -9.399 1.00 86.48 6 A 1 ATOM 49 C CB . TRP A 0 6 . 13.977 -0.343 -11.860 1.00 86.48 6 A 1 ATOM 50 O O . TRP A 0 6 . 12.580 -0.164 -8.821 1.00 86.48 6 A 1 ATOM 51 C CG . TRP A 0 6 . 13.619 0.043 -13.262 1.00 86.48 6 A 1 ATOM 52 C CD1 . TRP A 0 6 . 14.211 1.005 -14.010 1.00 86.48 6 A 1 ATOM 53 C CD2 . TRP A 0 6 . 12.575 -0.532 -14.106 1.00 86.48 6 A 1 ATOM 54 C CE2 . TRP A 0 6 . 12.587 0.144 -15.362 1.00 86.48 6 A 1 ATOM 55 C CE3 . TRP A 0 6 . 11.624 -1.563 -13.938 1.00 86.48 6 A 1 ATOM 56 N NE1 . TRP A 0 6 . 13.595 1.075 -15.244 1.00 86.48 6 A 1 ATOM 57 C CH2 . TRP A 0 6 . 10.774 -1.216 -16.203 1.00 86.48 6 A 1 ATOM 58 C CZ2 . TRP A 0 6 . 11.705 -0.183 -16.401 1.00 86.48 6 A 1 ATOM 59 C CZ3 . TRP A 0 6 . 10.736 -1.903 -14.976 1.00 86.48 6 A 1 ATOM 60 N N . LEU A 0 7 . 14.828 -0.121 -8.825 1.00 86.47 7 A 1 ATOM 61 C CA . LEU A 0 7 . 14.982 -0.666 -7.472 1.00 86.47 7 A 1 ATOM 62 C C . LEU A 0 7 . 14.365 0.255 -6.414 1.00 86.47 7 A 1 ATOM 63 C CB . LEU A 0 7 . 16.476 -0.896 -7.187 1.00 86.47 7 A 1 ATOM 64 O O . LEU A 0 7 . 13.691 -0.216 -5.493 1.00 86.47 7 A 1 ATOM 65 C CG . LEU A 0 7 . 17.097 -2.056 -7.986 1.00 86.47 7 A 1 ATOM 66 C CD1 . LEU A 0 7 . 18.607 -2.081 -7.753 1.00 86.47 7 A 1 ATOM 67 C CD2 . LEU A 0 7 . 16.522 -3.412 -7.568 1.00 86.47 7 A 1 ATOM 68 N N . SER A 0 8 . 14.533 1.568 -6.578 1.00 88.33 8 A 1 ATOM 69 C CA . SER A 0 8 . 13.875 2.555 -5.723 1.00 88.33 8 A 1 ATOM 70 C C . SER A 0 8 . 12.354 2.472 -5.855 1.00 88.33 8 A 1 ATOM 71 C CB . SER A 0 8 . 14.375 3.962 -6.050 1.00 88.33 8 A 1 ATOM 72 O O . SER A 0 8 . 11.670 2.381 -4.839 1.00 88.33 8 A 1 ATOM 73 O OG . SER A 0 8 . 15.761 4.039 -5.780 1.00 88.33 8 A 1 ATOM 74 N N . CYS A 0 9 . 11.811 2.426 -7.077 1.00 93.90 9 A 1 ATOM 75 C CA . CYS A 0 9 . 10.366 2.313 -7.311 1.00 93.90 9 A 1 ATOM 76 C C . CYS A 0 9 . 9.757 1.069 -6.653 1.00 93.90 9 A 1 ATOM 77 C CB . CYS A 0 9 . 10.093 2.293 -8.821 1.00 93.90 9 A 1 ATOM 78 O O . CYS A 0 9 . 8.730 1.171 -5.983 1.00 93.90 9 A 1 ATOM 79 S SG . CYS A 0 9 . 10.419 3.923 -9.547 1.00 93.90 9 A 1 ATOM 80 N N . ILE A 0 10 . 10.411 -0.086 -6.789 1.00 92.77 10 A 1 ATOM 81 C CA . ILE A 0 10 . 9.963 -1.337 -6.167 1.00 92.77 10 A 1 ATOM 82 C C . ILE A 0 10 . 9.962 -1.198 -4.638 1.00 92.77 10 A 1 ATOM 83 C CB . ILE A 0 10 . 10.848 -2.502 -6.665 1.00 92.77 10 A 1 ATOM 84 O O . ILE A 0 10 . 8.974 -1.527 -3.984 1.00 92.77 10 A 1 ATOM 85 C CG1 . ILE A 0 10 . 10.598 -2.766 -8.167 1.00 92.77 10 A 1 ATOM 86 C CG2 . ILE A 0 10 . 10.561 -3.780 -5.868 1.00 92.77 10 A 1 ATOM 87 C CD1 . ILE A 0 10 . 11.650 -3.676 -8.816 1.00 92.77 10 A 1 ATOM 88 N N . SER A 0 11 . 11.029 -0.636 -4.064 1.00 92.20 11 A 1 ATOM 89 C CA . SER A 0 11 . 11.138 -0.417 -2.615 1.00 92.20 11 A 1 ATOM 90 C C . SER A 0 11 . 10.050 0.525 -2.080 1.00 92.20 11 A 1 ATOM 91 C CB . SER A 0 11 . 12.519 0.147 -2.274 1.00 92.20 11 A 1 ATOM 92 O O . SER A 0 11 . 9.484 0.279 -1.012 1.00 92.20 11 A 1 ATOM 93 O OG . SER A 0 11 . 13.537 -0.735 -2.702 1.00 92.20 11 A 1 ATOM 94 N N . TYR A 0 12 . 9.714 1.580 -2.830 1.00 95.24 12 A 1 ATOM 95 C CA . TYR A 0 12 . 8.598 2.471 -2.503 1.00 95.24 12 A 1 ATOM 96 C C . TYR A 0 12 . 7.245 1.755 -2.575 1.00 95.24 12 A 1 ATOM 97 C CB . TYR A 0 12 . 8.614 3.707 -3.416 1.00 95.24 12 A 1 ATOM 98 O O . TYR A 0 12 . 6.431 1.923 -1.666 1.00 95.24 12 A 1 ATOM 99 C CG . TYR A 0 12 . 9.545 4.805 -2.938 1.00 95.24 12 A 1 ATOM 100 C CD1 . TYR A 0 12 . 9.214 5.537 -1.781 1.00 95.24 12 A 1 ATOM 101 C CD2 . TYR A 0 12 . 10.717 5.120 -3.650 1.00 95.24 12 A 1 ATOM 102 C CE1 . TYR A 0 12 . 10.070 6.556 -1.323 1.00 95.24 12 A 1 ATOM 103 C CE2 . TYR A 0 12 . 11.588 6.122 -3.185 1.00 95.24 12 A 1 ATOM 104 O OH . TYR A 0 12 . 12.085 7.823 -1.564 1.00 95.24 12 A 1 ATOM 105 C CZ . TYR A 0 12 . 11.262 6.843 -2.018 1.00 95.24 12 A 1 ATOM 106 N N . ALA A 0 13 . 7.019 0.920 -3.594 1.00 93.75 13 A 1 ATOM 107 C CA . ALA A 0 13 . 5.791 0.137 -3.720 1.00 93.75 13 A 1 ATOM 108 C C . ALA A 0 13 . 5.607 -0.829 -2.537 1.00 93.75 13 A 1 ATOM 109 C CB . ALA A 0 13 . 5.802 -0.593 -5.068 1.00 93.75 13 A 1 ATOM 110 O O . ALA A 0 13 . 4.542 -0.843 -1.920 1.00 93.75 13 A 1 ATOM 111 N N . PHE A 0 14 . 6.654 -1.565 -2.143 1.00 95.98 14 A 1 ATOM 112 C CA . PHE A 0 14 . 6.605 -2.445 -0.968 1.00 95.98 14 A 1 ATOM 113 C C . PHE A 0 14 . 6.344 -1.676 0.333 1.00 95.98 14 A 1 ATOM 114 C CB . PHE A 0 14 . 7.906 -3.251 -0.854 1.00 95.98 14 A 1 ATOM 115 O O . PHE A 0 14 . 5.530 -2.107 1.151 1.00 95.98 14 A 1 ATOM 116 C CG . PHE A 0 14 . 7.938 -4.480 -1.739 1.00 95.98 14 A 1 ATOM 117 C CD1 . PHE A 0 14 . 7.127 -5.587 -1.423 1.00 95.98 14 A 1 ATOM 118 C CD2 . PHE A 0 14 . 8.790 -4.543 -2.854 1.00 95.98 14 A 1 ATOM 119 C CE1 . PHE A 0 14 . 7.152 -6.736 -2.231 1.00 95.98 14 A 1 ATOM 120 C CE2 . PHE A 0 14 . 8.815 -5.694 -3.662 1.00 95.98 14 A 1 ATOM 121 C CZ . PHE A 0 14 . 7.990 -6.787 -3.356 1.00 95.98 14 A 1 ATOM 122 N N . ARG A 0 15 . 6.983 -0.513 0.520 1.00 96.35 15 A 1 ATOM 123 C CA . ARG A 0 15 . 6.746 0.344 1.694 1.00 96.35 15 A 1 ATOM 124 C C . ARG A 0 15 . 5.295 0.822 1.770 1.00 96.35 15 A 1 ATOM 125 C CB . ARG A 0 15 . 7.733 1.520 1.668 1.00 96.35 15 A 1 ATOM 126 O O . ARG A 0 15 . 4.738 0.859 2.867 1.00 96.35 15 A 1 ATOM 127 C CG . ARG A 0 15 . 7.548 2.469 2.865 1.00 96.35 15 A 1 ATOM 128 C CD . ARG A 0 15 . 8.587 3.597 2.858 1.00 96.35 15 A 1 ATOM 129 N NE . ARG A 0 15 . 9.945 3.099 3.155 1.00 96.35 15 A 1 ATOM 130 N NH1 . ARG A 0 15 . 9.924 3.399 5.438 1.00 96.35 15 A 1 ATOM 131 N NH2 . ARG A 0 15 . 11.721 2.519 4.456 1.00 96.35 15 A 1 ATOM 132 C CZ . ARG A 0 15 . 10.519 3.010 4.343 1.00 96.35 15 A 1 ATOM 133 N N . LEU A 0 16 . 4.698 1.188 0.637 1.00 96.13 16 A 1 ATOM 134 C CA . LEU A 0 16 . 3.300 1.612 0.571 1.00 96.13 16 A 1 ATOM 135 C C . LEU A 0 16 . 2.353 0.447 0.887 1.00 96.13 16 A 1 ATOM 136 C CB . LEU A 0 16 . 3.034 2.219 -0.817 1.00 96.13 16 A 1 ATOM 137 O O . LEU A 0 16 . 1.455 0.602 1.710 1.00 96.13 16 A 1 ATOM 138 C CG . LEU A 0 16 . 1.629 2.829 -0.975 1.00 96.13 16 A 1 ATOM 139 C CD1 . LEU A 0 16 . 1.421 4.039 -0.062 1.00 96.13 16 A 1 ATOM 140 C CD2 . LEU A 0 16 . 1.434 3.278 -2.423 1.00 96.13 16 A 1 ATOM 141 N N . LEU A 0 17 . 2.597 -0.732 0.306 1.00 96.84 17 A 1 ATOM 142 C CA . LEU A 0 17 . 1.799 -1.934 0.568 1.00 96.84 17 A 1 ATOM 143 C C . LEU A 0 17 . 1.827 -2.338 2.045 1.00 96.84 17 A 1 ATOM 144 C CB . LEU A 0 17 . 2.299 -3.089 -0.316 1.00 96.84 17 A 1 ATOM 145 O O . LEU A 0 17 . 0.776 -2.613 2.618 1.00 96.84 17 A 1 ATOM 146 C CG . LEU A 0 17 . 1.936 -2.956 -1.806 1.00 96.84 17 A 1 ATOM 147 C CD1 . LEU A 0 17 . 2.644 -4.058 -2.595 1.00 96.84 17 A 1 ATOM 148 C CD2 . LEU A 0 17 . 0.431 -3.084 -2.046 1.00 96.84 17 A 1 ATOM 149 N N . MET A 0 18 . 3.000 -2.306 2.685 1.00 95.96 18 A 1 ATOM 150 C CA . MET A 0 18 . 3.120 -2.601 4.116 1.00 95.96 18 A 1 ATOM 151 C C . MET A 0 18 . 2.277 -1.639 4.970 1.00 95.96 18 A 1 ATOM 152 C CB . MET A 0 18 . 4.602 -2.557 4.520 1.00 95.96 18 A 1 ATOM 153 O O . MET A 0 18 . 1.588 -2.079 5.887 1.00 95.96 18 A 1 ATOM 154 C CG . MET A 0 18 . 4.832 -3.040 5.957 1.00 95.96 18 A 1 ATOM 155 S SD . MET A 0 18 . 4.469 -4.797 6.217 1.00 95.96 18 A 1 ATOM 156 C CE . MET A 0 18 . 4.830 -4.929 7.988 1.00 95.96 18 A 1 ATOM 157 N N . HIS A 0 19 . 2.272 -0.339 4.649 1.00 97.23 19 A 1 ATOM 158 C CA . HIS A 0 19 . 1.433 0.640 5.355 1.00 97.23 19 A 1 ATOM 159 C C . HIS A 0 19 . -0.061 0.392 5.149 1.00 97.23 19 A 1 ATOM 160 C CB . HIS A 0 19 . 1.773 2.071 4.920 1.00 97.23 19 A 1 ATOM 161 O O . HIS A 0 19 . -0.822 0.503 6.106 1.00 97.23 19 A 1 ATOM 162 C CG . HIS A 0 19 . 2.988 2.617 5.610 1.00 97.23 19 A 1 ATOM 163 C CD2 . HIS A 0 19 . 3.019 3.321 6.784 1.00 97.23 19 A 1 ATOM 164 N ND1 . HIS A 0 19 . 4.282 2.473 5.180 1.00 97.23 19 A 1 ATOM 165 C CE1 . HIS A 0 19 . 5.079 3.080 6.074 1.00 97.23 19 A 1 ATOM 166 N NE2 . HIS A 0 19 . 4.357 3.614 7.067 1.00 97.23 19 A 1 ATOM 167 N N . LEU A 0 20 . -0.481 0.039 3.931 1.00 96.45 20 A 1 ATOM 168 C CA . LEU A 0 20 . -1.882 -0.271 3.643 1.00 96.45 20 A 1 ATOM 169 C C . LEU A 0 20 . -2.363 -1.487 4.440 1.00 96.45 20 A 1 ATOM 170 C CB . LEU A 0 20 . -2.066 -0.504 2.134 1.00 96.45 20 A 1 ATOM 171 O O . LEU A 0 20 . -3.448 -1.446 5.010 1.00 96.45 20 A 1 ATOM 172 C CG . LEU A 0 20 . -1.916 0.760 1.270 1.00 96.45 20 A 1 ATOM 173 C CD1 . LEU A 0 20 . -1.957 0.367 -0.207 1.00 96.45 20 A 1 ATOM 174 C CD2 . LEU A 0 20 . -3.027 1.779 1.531 1.00 96.45 20 A 1 ATOM 175 N N . ILE A 0 21 . -1.541 -2.535 4.540 1.00 97.40 21 A 1 ATOM 176 C CA . ILE A 0 21 . -1.868 -3.724 5.337 1.00 97.40 21 A 1 ATOM 177 C C . ILE A 0 21 . -1.993 -3.354 6.818 1.00 97.40 21 A 1 ATOM 178 C CB . ILE A 0 21 . -0.830 -4.842 5.102 1.00 97.40 21 A 1 ATOM 179 O O . ILE A 0 21 . -2.999 -3.686 7.441 1.00 97.40 21 A 1 ATOM 180 C CG1 . ILE A 0 21 . -0.911 -5.345 3.642 1.00 97.40 21 A 1 ATOM 181 C CG2 . ILE A 0 21 . -1.060 -6.016 6.075 1.00 97.40 21 A 1 ATOM 182 C CD1 . ILE A 0 21 . 0.294 -6.194 3.219 1.00 97.40 21 A 1 ATOM 183 N N . CYS A 0 22 . -1.023 -2.621 7.376 1.00 98.06 22 A 1 ATOM 184 C CA . CYS A 0 22 . -1.098 -2.159 8.765 1.00 98.06 22 A 1 ATOM 185 C C . CYS A 0 22 . -2.341 -1.296 9.021 1.00 98.06 22 A 1 ATOM 186 C CB . CYS A 0 22 . 0.172 -1.374 9.115 1.00 98.06 22 A 1 ATOM 187 O O . CYS A 0 22 . -2.991 -1.456 10.051 1.00 98.06 22 A 1 ATOM 188 S SG . CYS A 0 22 . 1.597 -2.494 9.222 1.00 98.06 22 A 1 ATOM 189 N N . TYR A 0 23 . -2.693 -0.415 8.081 1.00 97.45 23 A 1 ATOM 190 C CA . TYR A 0 23 . -3.892 0.414 8.168 1.00 97.45 23 A 1 ATOM 191 C C . TYR A 0 23 . -5.173 -0.432 8.170 1.00 97.45 23 A 1 ATOM 192 C CB . TYR A 0 23 . -3.886 1.426 7.016 1.00 97.45 23 A 1 ATOM 193 O O . TYR A 0 23 . -6.033 -0.227 9.021 1.00 97.45 23 A 1 ATOM 194 C CG . TYR A 0 23 . -5.081 2.354 7.028 1.00 97.45 23 A 1 ATOM 195 C CD1 . TYR A 0 23 . -6.150 2.147 6.135 1.00 97.45 23 A 1 ATOM 196 C CD2 . TYR A 0 23 . -5.133 3.407 7.962 1.00 97.45 23 A 1 ATOM 197 C CE1 . TYR A 0 23 . -7.268 3.002 6.170 1.00 97.45 23 A 1 ATOM 198 C CE2 . TYR A 0 23 . -6.252 4.259 8.003 1.00 97.45 23 A 1 ATOM 199 O OH . TYR A 0 23 . -8.403 4.877 7.133 1.00 97.45 23 A 1 ATOM 200 C CZ . TYR A 0 23 . -7.321 4.058 7.103 1.00 97.45 23 A 1 ATOM 201 N N . VAL A 0 24 . -5.285 -1.426 7.283 1.00 97.91 24 A 1 ATOM 202 C CA . VAL A 0 24 . -6.439 -2.341 7.248 1.00 97.91 24 A 1 ATOM 203 C C . VAL A 0 24 . -6.533 -3.168 8.531 1.00 97.91 24 A 1 ATOM 204 C CB . VAL A 0 24 . -6.389 -3.247 6.003 1.00 97.91 24 A 1 ATOM 205 O O . VAL A 0 24 . -7.617 -3.263 9.100 1.00 97.91 24 A 1 ATOM 206 C CG1 . VAL A 0 24 . -7.460 -4.348 6.029 1.00 97.91 24 A 1 ATOM 207 C CG2 . VAL A 0 24 . -6.626 -2.424 4.729 1.00 97.91 24 A 1 ATOM 208 N N . CYS A 0 25 . -5.422 -3.722 9.029 1.00 98.33 25 A 1 ATOM 209 C CA . CYS A 0 25 . -5.407 -4.441 10.306 1.00 98.33 25 A 1 ATOM 210 C C . CYS A 0 25 . -5.874 -3.548 11.460 1.00 98.33 25 A 1 ATOM 211 C CB . CYS A 0 25 . -3.999 -4.977 10.592 1.00 98.33 25 A 1 ATOM 212 O O . CYS A 0 25 . -6.698 -3.981 12.262 1.00 98.33 25 A 1 ATOM 213 S SG . CYS A 0 25 . -3.614 -6.358 9.478 1.00 98.33 25 A 1 ATOM 214 N N . TRP A 0 26 . -5.405 -2.298 11.511 1.00 97.94 26 A 1 ATOM 215 C CA . TRP A 0 26 . -5.839 -1.327 12.513 1.00 97.94 26 A 1 ATOM 216 C C . TRP A 0 26 . -7.345 -1.043 12.419 1.00 97.94 26 A 1 ATOM 217 C CB . TRP A 0 26 . -5.003 -0.051 12.362 1.00 97.94 26 A 1 ATOM 218 O O . TRP A 0 26 . -8.041 -1.112 13.428 1.00 97.94 26 A 1 ATOM 219 C CG . TRP A 0 26 . -5.387 1.048 13.297 1.00 97.94 26 A 1 ATOM 220 C CD1 . TRP A 0 26 . -5.033 1.129 14.598 1.00 97.94 26 A 1 ATOM 221 C CD2 . TRP A 0 26 . -6.270 2.183 13.049 1.00 97.94 26 A 1 ATOM 222 C CE2 . TRP A 0 26 . -6.407 2.919 14.262 1.00 97.94 26 A 1 ATOM 223 C CE3 . TRP A 0 26 . -6.988 2.650 11.927 1.00 97.94 26 A 1 ATOM 224 N NE1 . TRP A 0 26 . -5.623 2.240 15.169 1.00 97.94 26 A 1 ATOM 225 C CH2 . TRP A 0 26 . -7.930 4.490 13.230 1.00 97.94 26 A 1 ATOM 226 C CZ2 . TRP A 0 26 . -7.218 4.058 14.363 1.00 97.94 26 A 1 ATOM 227 C CZ3 . TRP A 0 26 . -7.814 3.787 12.017 1.00 97.94 26 A 1 ATOM 228 N N . VAL A 0 27 . -7.879 -0.814 11.212 1.00 97.55 27 A 1 ATOM 229 C CA . VAL A 0 27 . -9.322 -0.606 10.993 1.00 97.55 27 A 1 ATOM 230 C C . VAL A 0 27 . -10.136 -1.826 11.439 1.00 97.55 27 A 1 ATOM 231 C CB . VAL A 0 27 . -9.602 -0.251 9.517 1.00 97.55 27 A 1 ATOM 232 O O . VAL A 0 27 . -11.117 -1.676 12.162 1.00 97.55 27 A 1 ATOM 233 C CG1 . VAL A 0 27 . -11.097 -0.234 9.194 1.00 97.55 27 A 1 ATOM 234 C CG2 . VAL A 0 27 . -9.080 1.148 9.165 1.00 97.55 27 A 1 ATOM 235 N N . LEU A 0 28 . -9.725 -3.040 11.061 1.00 97.72 28 A 1 ATOM 236 C CA . LEU A 0 28 . -10.409 -4.273 11.465 1.00 97.72 28 A 1 ATOM 237 C C . LEU A 0 28 . -10.393 -4.473 12.984 1.00 97.72 28 A 1 ATOM 238 C CB . LEU A 0 28 . -9.759 -5.479 10.767 1.00 97.72 28 A 1 ATOM 239 O O . LEU A 0 28 . -11.391 -4.913 13.548 1.00 97.72 28 A 1 ATOM 240 C CG . LEU A 0 28 . -10.038 -5.580 9.257 1.00 97.72 28 A 1 ATOM 241 C CD1 . LEU A 0 28 . -9.214 -6.730 8.674 1.00 97.72 28 A 1 ATOM 242 C CD2 . LEU A 0 28 . -11.514 -5.849 8.956 1.00 97.72 28 A 1 ATOM 243 N N . GLN A 0 29 . -9.292 -4.123 13.654 1.00 97.21 29 A 1 ATOM 244 C CA . GLN A 0 29 . -9.205 -4.161 15.114 1.00 97.21 29 A 1 ATOM 245 C C . GLN A 0 29 . -10.172 -3.172 15.774 1.00 97.21 29 A 1 ATOM 246 C CB . GLN A 0 29 . -7.766 -3.873 15.559 1.00 97.21 29 A 1 ATOM 247 O O . GLN A 0 29 . -10.804 -3.533 16.762 1.00 97.21 29 A 1 ATOM 248 C CG . GLN A 0 29 . -6.841 -5.070 15.313 1.00 97.21 29 A 1 ATOM 249 C CD . GLN A 0 29 . -5.389 -4.740 15.638 1.00 97.21 29 A 1 ATOM 250 N NE2 . GLN A 0 29 . -4.722 -5.569 16.411 1.00 97.21 29 A 1 ATOM 251 O OE1 . GLN A 0 29 . -4.814 -3.748 15.221 1.00 97.21 29 A 1 ATOM 252 N N . VAL A 0 30 . -10.330 -1.967 15.213 1.00 97.13 30 A 1 ATOM 253 C CA . VAL A 0 30 . -11.311 -0.980 15.697 1.00 97.13 30 A 1 ATOM 254 C C . VAL A 0 30 . -12.741 -1.520 15.581 1.00 97.13 30 A 1 ATOM 255 C CB . VAL A 0 30 . -11.144 0.365 14.956 1.00 97.13 30 A 1 ATOM 256 O O . VAL A 0 30 . -13.527 -1.355 16.509 1.00 97.13 30 A 1 ATOM 257 C CG1 . VAL A 0 30 . -12.261 1.367 15.277 1.00 97.13 30 A 1 ATOM 258 C CG2 . VAL A 0 30 . -9.818 1.041 15.333 1.00 97.13 30 A 1 ATOM 259 N N . PHE A 0 31 . -13.080 -2.216 14.490 1.00 96.01 31 A 1 ATOM 260 C CA . PHE A 0 31 . -14.404 -2.833 14.335 1.00 96.01 31 A 1 ATOM 261 C C . PHE A 0 31 . -14.618 -4.055 15.230 1.00 96.01 31 A 1 ATOM 262 C CB . PHE A 0 31 . -14.649 -3.210 12.870 1.00 96.01 31 A 1 ATOM 263 O O . PHE A 0 31 . -15.720 -4.243 15.721 1.00 96.01 31 A 1 ATOM 264 C CG . PHE A 0 31 . -14.990 -2.027 11.990 1.00 96.01 31 A 1 ATOM 265 C CD1 . PHE A 0 31 . -16.246 -1.406 12.115 1.00 96.01 31 A 1 ATOM 266 C CD2 . PHE A 0 31 . -14.072 -1.552 11.040 1.00 96.01 31 A 1 ATOM 267 C CE1 . PHE A 0 31 . -16.570 -0.300 11.311 1.00 96.01 31 A 1 ATOM 268 C CE2 . PHE A 0 31 . -14.396 -0.444 10.239 1.00 96.01 31 A 1 ATOM 269 C CZ . PHE A 0 31 . -15.640 0.189 10.379 1.00 96.01 31 A 1 ATOM 270 N N . ALA A 0 32 . -13.590 -4.873 15.464 1.00 91.00 32 A 1 ATOM 271 C CA . ALA A 0 32 . -13.705 -6.069 16.302 1.00 91.00 32 A 1 ATOM 272 C C . ALA A 0 32 . -13.886 -5.762 17.802 1.00 91.00 32 A 1 ATOM 273 C CB . ALA A 0 32 . -12.467 -6.940 16.059 1.00 91.00 32 A 1 ATOM 274 O O . ALA A 0 32 . -14.196 -6.663 18.577 1.00 91.00 32 A 1 ATOM 275 N N . GLN A 0 33 . -13.650 -4.516 18.222 1.00 90.65 33 A 1 ATOM 276 C CA . GLN A 0 33 . -13.922 -4.056 19.585 1.00 90.65 33 A 1 ATOM 277 C C . GLN A 0 33 . -15.369 -3.573 19.789 1.00 90.65 33 A 1 ATOM 278 C CB . GLN A 0 33 . -12.909 -2.964 19.964 1.00 90.65 33 A 1 ATOM 279 O O . GLN A 0 33 . -15.758 -3.361 20.938 1.00 90.65 33 A 1 ATOM 280 C CG . GLN A 0 33 . -11.509 -3.552 20.187 1.00 90.65 33 A 1 ATOM 281 C CD . GLN A 0 33 . -10.516 -2.519 20.711 1.00 90.65 33 A 1 ATOM 282 N NE2 . GLN A 0 33 . -9.685 -2.882 21.665 1.00 90.65 33 A 1 ATOM 283 O OE1 . GLN A 0 33 . -10.445 -1.375 20.298 1.00 90.65 33 A 1 ATOM 284 N N . HIS A 0 34 . -16.143 -3.405 18.710 1.00 76.58 34 A 1 ATOM 285 C CA . HIS A 0 34 . -17.576 -3.099 18.745 1.00 76.58 34 A 1 ATOM 286 C C . HIS A 0 34 . -18.418 -4.375 18.679 1.00 76.58 34 A 1 ATOM 287 C CB . HIS A 0 34 . -17.924 -2.136 17.600 1.00 76.58 34 A 1 ATOM 288 O O . HIS A 0 34 . -19.426 -4.420 19.419 1.00 76.58 34 A 1 ATOM 289 C CG . HIS A 0 34 . -17.768 -0.690 17.977 1.00 76.58 34 A 1 ATOM 290 C CD2 . HIS A 0 34 . -16.785 0.182 17.595 1.00 76.58 34 A 1 ATOM 291 N ND1 . HIS A 0 34 . -18.629 -0.001 18.792 1.00 76.58 34 A 1 ATOM 292 C CE1 . HIS A 0 34 . -18.186 1.261 18.895 1.00 76.58 34 A 1 ATOM 293 N NE2 . HIS A 0 34 . -17.069 1.430 18.171 1.00 76.58 34 A 1 ATOM 294 O OXT . HIS A 0 34 . -18.067 -5.249 17.860 1.00 76.58 34 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 91.00 # loop_ _atom_type.symbol C N O S #