Browse entries in the PDBbind-CN Database
HEADER 5TDB_COMPLEX COMPND 5TDB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 70 LEU CYS GLY ARG VAL PHE LYS VAL GLY GLU PRO THR TYR SEQRES 2 A 70 SER CYS ARG ASP CYS ALA VAL ASP PRO THR CYS VAL LEU SEQRES 3 A 70 CYS MET GLU CYS PHE LEU GLY SER ILE HIS ARG ASP HIS SEQRES 4 A 70 ARG TYR ARG MET THR THR SER GLY GLY GLY GLY PHE CYS SEQRES 5 A 70 ASP CYS GLY ASP THR GLU ALA TRP LYS GLU GLY PRO TYR SEQRES 6 A 70 CYS GLN LYS HIS GLU HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET DA A 2 52 ATOM 1 N LEU A 98 5.824 -0.630 19.169 1.00 31.47 N ATOM 2 CA LEU A 98 6.336 -1.096 20.457 1.00 28.22 C ATOM 3 C LEU A 98 7.366 -2.233 20.324 1.00 23.40 C ATOM 4 O LEU A 98 7.886 -2.721 21.340 1.00 26.29 O ATOM 5 CB LEU A 98 5.175 -1.518 21.375 1.00 29.56 C ATOM 6 HN3 LEU A 98 5.360 -1.419 18.676 1.00 0.00 H ATOM 7 HN2 LEU A 98 6.613 -0.275 18.592 1.00 0.00 H ATOM 8 HN1 LEU A 98 5.136 0.134 19.327 1.00 0.00 H ATOM 9 N CYS A 99 7.654 -2.670 19.089 1.00 19.67 N ATOM 10 CA CYS A 99 8.767 -3.579 18.848 1.00 17.07 C ATOM 11 C CYS A 99 10.090 -2.830 18.990 1.00 15.90 C ATOM 12 O CYS A 99 10.822 -3.039 19.962 1.00 18.20 O ATOM 13 CB CYS A 99 8.673 -4.230 17.466 1.00 14.21 C ATOM 14 SG CYS A 99 10.058 -5.329 17.231 1.00 11.54 S ATOM 15 H CYS A 99 7.071 -2.354 18.288 1.00 0.00 H ATOM 16 N GLY A 100 10.404 -1.956 18.026 1.00 15.00 N ATOM 17 CA GLY A 100 11.631 -1.185 18.036 1.00 14.63 C ATOM 18 C GLY A 100 12.918 -1.967 17.878 1.00 13.72 C ATOM 19 O GLY A 100 13.988 -1.374 18.032 1.00 16.07 O ATOM 20 H GLY A 100 9.740 -1.825 17.237 1.00 0.00 H ATOM 21 N ARG A 101 12.862 -3.262 17.553 1.00 12.23 N ATOM 22 CA ARG A 101 14.057 -4.102 17.537 1.00 12.34 C ATOM 23 C ARG A 101 15.144 -3.498 16.657 1.00 12.44 C ATOM 24 O ARG A 101 14.900 -3.180 15.498 1.00 12.46 O ATOM 25 CB ARG A 101 13.715 -5.500 17.013 1.00 12.85 C ATOM 26 CG ARG A 101 14.929 -6.455 17.019 1.00 14.48 C ATOM 27 CD ARG A 101 14.763 -7.735 16.200 1.00 15.63 C ATOM 28 NE ARG A 101 13.679 -8.580 16.686 1.00 15.64 N ATOM 29 CZ ARG A 101 13.633 -9.913 16.564 1.00 14.28 C ATOM 30 NH1 ARG A 101 14.621 -10.589 15.990 1.00 15.37 N ATOM 31 NH2 ARG A 101 12.598 -10.579 17.041 1.00 14.16 N ATOM 32 HE ARG A 101 12.882 -8.113 17.163 1.00 0.00 H ATOM 33 HH12 ARG A 101 14.563 -11.624 15.907 1.00 0.00 H ATOM 34 HH11 ARG A 101 15.453 -10.084 15.624 1.00 0.00 H ATOM 35 HH22 ARG A 101 12.558 -11.614 16.948 1.00 0.00 H ATOM 36 HH21 ARG A 101 11.822 -10.069 17.509 1.00 0.00 H ATOM 37 H ARG A 101 11.944 -3.683 17.305 1.00 0.00 H ATOM 38 N VAL A 102 16.359 -3.393 17.202 1.00 13.13 N ATOM 39 CA VAL A 102 17.530 -2.985 16.433 1.00 13.83 C ATOM 40 C VAL A 102 18.200 -4.231 15.868 1.00 13.26 C ATOM 41 O VAL A 102 18.489 -5.183 16.608 1.00 15.10 O ATOM 42 CB VAL A 102 18.505 -2.171 17.301 1.00 15.43 C ATOM 43 CG1 VAL A 102 19.778 -1.879 16.520 1.00 16.43 C ATOM 44 CG2 VAL A 102 17.842 -0.886 17.743 1.00 17.29 C ATOM 45 H VAL A 102 16.475 -3.610 18.212 1.00 0.00 H ATOM 46 N PHE A 103 18.411 -4.251 14.556 1.00 13.22 N ATOM 47 CA PHE A 103 18.946 -5.441 13.905 1.00 13.12 C ATOM 48 C PHE A 103 20.419 -5.664 14.217 1.00 14.65 C ATOM 49 O PHE A 103 21.218 -4.722 14.307 1.00 16.11 O ATOM 50 CB PHE A 103 18.750 -5.370 12.393 1.00 14.28 C ATOM 51 CG PHE A 103 17.322 -5.275 11.999 1.00 13.61 C ATOM 52 CD1 PHE A 103 16.453 -6.314 12.287 1.00 15.35 C ATOM 53 CD2 PHE A 103 16.831 -4.143 11.368 1.00 14.00 C ATOM 54 CE1 PHE A 103 15.127 -6.228 11.942 1.00 17.39 C ATOM 55 CE2 PHE A 103 15.502 -4.057 11.025 1.00 15.76 C ATOM 56 CZ PHE A 103 14.648 -5.093 11.316 1.00 17.18 C ATOM 57 H PHE A 103 18.192 -3.408 13.987 1.00 0.00 H ATOM 58 N LYS A 104 20.780 -6.933 14.363 1.00 14.85 N ATOM 59 CA LYS A 104 22.166 -7.322 14.545 1.00 16.76 C ATOM 60 C LYS A 104 22.780 -7.808 13.234 1.00 17.99 C ATOM 61 O LYS A 104 22.091 -8.047 12.237 1.00 20.58 O ATOM 62 CB LYS A 104 22.275 -8.374 15.641 1.00 19.65 C ATOM 63 CG LYS A 104 21.849 -7.810 16.989 1.00 23.96 C ATOM 64 CD LYS A 104 22.190 -8.697 18.154 1.00 27.12 C ATOM 65 CE LYS A 104 21.958 -7.960 19.471 1.00 27.83 C ATOM 66 NZ LYS A 104 20.513 -7.727 19.751 1.00 28.40 N ATOM 67 HZ1 LYS A 104 20.101 -7.154 18.987 1.00 0.00 H ATOM 68 HZ2 LYS A 104 20.020 -8.641 19.805 1.00 0.00 H ATOM 69 HZ3 LYS A 104 20.413 -7.224 20.656 1.00 0.00 H ATOM 70 H LYS A 104 20.047 -7.671 14.346 1.00 0.00 H ATOM 71 N VAL A 105 24.111 -7.910 13.248 1.00 19.22 N ATOM 72 CA VAL A 105 24.880 -8.339 12.089 1.00 23.07 C ATOM 73 C VAL A 105 24.364 -9.674 11.602 1.00 22.14 C ATOM 74 O VAL A 105 24.292 -10.642 12.365 1.00 24.80 O ATOM 75 CB VAL A 105 26.372 -8.432 12.468 1.00 26.28 C ATOM 76 CG1 VAL A 105 27.193 -9.043 11.345 1.00 27.13 C ATOM 77 CG2 VAL A 105 26.907 -7.059 12.830 1.00 27.43 C ATOM 78 H VAL A 105 24.620 -7.673 14.124 1.00 0.00 H ATOM 79 N GLY A 106 24.028 -9.740 10.313 1.00 23.28 N ATOM 80 CA GLY A 106 23.576 -10.969 9.703 1.00 24.27 C ATOM 81 C GLY A 106 22.113 -11.292 9.906 1.00 24.91 C ATOM 82 O GLY A 106 21.657 -12.342 9.428 1.00 26.04 O ATOM 83 H GLY A 106 24.093 -8.881 9.730 1.00 0.00 H ATOM 84 N GLU A 107 21.358 -10.424 10.569 1.00 23.04 N ATOM 85 CA GLU A 107 19.979 -10.754 10.906 1.00 22.07 C ATOM 86 C GLU A 107 19.045 -10.486 9.723 1.00 20.76 C ATOM 87 O GLU A 107 19.138 -9.434 9.083 1.00 21.51 O ATOM 88 CB GLU A 107 19.535 -9.927 12.103 1.00 20.54 C ATOM 89 CG GLU A 107 18.256 -10.399 12.677 1.00 19.60 C ATOM 90 CD GLU A 107 17.857 -9.651 13.938 1.00 17.03 C ATOM 91 OE1 GLU A 107 16.667 -9.702 14.246 1.00 19.08 O ATOM 92 OE2 GLU A 107 18.683 -9.011 14.625 1.00 15.79 O ATOM 93 H GLU A 107 21.753 -9.504 10.849 1.00 0.00 H ATOM 94 N PRO A 108 18.118 -11.402 9.430 1.00 21.33 N ATOM 95 CA PRO A 108 17.157 -11.163 8.344 1.00 19.71 C ATOM 96 C PRO A 108 16.217 -10.006 8.646 1.00 17.87 C ATOM 97 O PRO A 108 15.772 -9.832 9.780 1.00 17.45 O ATOM 98 CB PRO A 108 16.366 -12.474 8.279 1.00 22.63 C ATOM 99 CG PRO A 108 17.174 -13.479 9.032 1.00 26.28 C ATOM 100 CD PRO A 108 17.878 -12.701 10.083 1.00 24.27 C ATOM 101 N THR A 109 15.906 -9.223 7.610 1.00 16.96 N ATOM 102 CA THR A 109 14.872 -8.198 7.671 1.00 17.49 C ATOM 103 C THR A 109 13.930 -8.414 6.497 1.00 15.22 C ATOM 104 O THR A 109 14.332 -8.919 5.438 1.00 17.61 O ATOM 105 CB THR A 109 15.433 -6.754 7.631 1.00 19.36 C ATOM 106 OG1 THR A 109 15.789 -6.392 6.288 1.00 21.39 O ATOM 107 CG2 THR A 109 16.634 -6.626 8.553 1.00 20.13 C ATOM 108 HG1 THR A 109 16.480 -7.016 5.951 1.00 0.00 H ATOM 109 H THR A 109 16.426 -9.351 6.718 1.00 0.00 H ATOM 110 N TYR A 110 12.668 -8.058 6.696 1.00 13.89 N ATOM 111 CA TYR A 110 11.631 -8.349 5.721 1.00 13.53 C ATOM 112 C TYR A 110 10.908 -7.078 5.322 1.00 14.58 C ATOM 113 O TYR A 110 10.360 -6.367 6.160 1.00 17.30 O ATOM 114 CB TYR A 110 10.615 -9.350 6.282 1.00 13.00 C ATOM 115 CG TYR A 110 11.249 -10.680 6.552 1.00 14.33 C ATOM 116 CD1 TYR A 110 11.872 -10.937 7.766 1.00 15.91 C ATOM 117 CD2 TYR A 110 11.244 -11.672 5.590 1.00 16.81 C ATOM 118 CE1 TYR A 110 12.475 -12.144 8.008 1.00 19.30 C ATOM 119 CE2 TYR A 110 11.838 -12.877 5.819 1.00 19.68 C ATOM 120 CZ TYR A 110 12.449 -13.115 7.026 1.00 21.10 C ATOM 121 OH TYR A 110 13.045 -14.332 7.258 1.00 25.87 O ATOM 122 HH TYR A 110 13.760 -14.481 6.590 1.00 0.00 H ATOM 123 H TYR A 110 12.414 -7.558 7.572 1.00 0.00 H ATOM 124 N SER A 111 10.860 -6.807 4.043 1.00 14.84 N ATOM 125 CA SER A 111 9.997 -5.745 3.562 1.00 15.48 C ATOM 126 C SER A 111 8.857 -6.396 2.790 1.00 16.46 C ATOM 127 O SER A 111 8.894 -7.589 2.478 1.00 19.11 O ATOM 128 CB SER A 111 10.802 -4.738 2.737 1.00 17.72 C ATOM 129 OG SER A 111 10.039 -3.587 2.457 1.00 19.43 O ATOM 130 HG SER A 111 9.769 -3.157 3.307 1.00 0.00 H ATOM 131 H SER A 111 11.439 -7.352 3.373 1.00 0.00 H ATOM 132 N CYS A 112 7.789 -5.655 2.593 1.00 15.60 N ATOM 133 CA CYS A 112 6.680 -6.112 1.773 1.00 15.17 C ATOM 134 C CYS A 112 6.633 -5.248 0.524 1.00 15.59 C ATOM 135 O CYS A 112 6.505 -4.027 0.624 1.00 15.72 O ATOM 136 CB CYS A 112 5.358 -5.995 2.516 1.00 14.38 C ATOM 137 SG CYS A 112 4.020 -6.665 1.477 1.00 13.94 S ATOM 138 H CYS A 112 7.737 -4.716 3.036 1.00 0.00 H ATOM 139 N ARG A 113 6.759 -5.877 -0.648 1.00 15.92 N ATOM 140 CA ARG A 113 6.756 -5.115 -1.890 1.00 17.73 C ATOM 141 C ARG A 113 5.383 -4.541 -2.183 1.00 17.28 C ATOM 142 O ARG A 113 5.285 -3.546 -2.903 1.00 20.20 O ATOM 143 CB ARG A 113 7.253 -5.980 -3.056 1.00 18.13 C ATOM 144 CG ARG A 113 8.717 -6.381 -2.910 1.00 20.48 C ATOM 145 CD ARG A 113 9.079 -7.568 -3.776 1.00 21.96 C ATOM 146 NE ARG A 113 8.859 -7.260 -5.181 1.00 21.93 N ATOM 147 CZ ARG A 113 8.905 -8.149 -6.164 1.00 22.04 C ATOM 148 NH1 ARG A 113 9.185 -9.416 -5.903 1.00 22.12 N ATOM 149 NH2 ARG A 113 8.682 -7.764 -7.415 1.00 20.78 N ATOM 150 HE ARG A 113 8.651 -6.272 -5.432 1.00 0.00 H ATOM 151 HH12 ARG A 113 9.220 -10.111 -6.676 1.00 0.00 H ATOM 152 HH11 ARG A 113 9.370 -9.717 -4.925 1.00 0.00 H ATOM 153 HH22 ARG A 113 8.718 -8.460 -8.187 1.00 0.00 H ATOM 154 HH21 ARG A 113 8.472 -6.767 -7.623 1.00 0.00 H ATOM 155 H ARG A 113 6.859 -6.912 -0.674 1.00 0.00 H ATOM 156 N ASP A 114 4.330 -5.136 -1.631 1.00 16.05 N ATOM 157 CA ASP A 114 2.979 -4.631 -1.828 1.00 17.13 C ATOM 158 C ASP A 114 2.626 -3.478 -0.891 1.00 17.10 C ATOM 159 O ASP A 114 1.852 -2.598 -1.282 1.00 19.42 O ATOM 160 CB ASP A 114 1.972 -5.763 -1.646 1.00 17.11 C ATOM 161 CG ASP A 114 2.151 -6.875 -2.652 1.00 17.83 C ATOM 162 OD1 ASP A 114 2.262 -6.586 -3.864 1.00 19.11 O ATOM 163 OD2 ASP A 114 2.145 -8.055 -2.240 1.00 19.75 O ATOM 164 H ASP A 114 4.475 -5.982 -1.044 1.00 0.00 H ATOM 165 N CYS A 115 3.152 -3.465 0.342 1.00 15.78 N ATOM 166 CA CYS A 115 2.671 -2.540 1.365 1.00 15.54 C ATOM 167 C CYS A 115 3.691 -1.520 1.849 1.00 15.40 C ATOM 168 O CYS A 115 3.290 -0.501 2.433 1.00 17.01 O ATOM 169 CB CYS A 115 2.132 -3.290 2.598 1.00 15.66 C ATOM 170 SG CYS A 115 0.837 -4.529 2.199 1.00 15.65 S ATOM 171 H CYS A 115 3.919 -4.128 0.575 1.00 0.00 H ATOM 172 N ALA A 116 4.981 -1.751 1.654 1.00 15.34 N ATOM 173 CA ALA A 116 5.968 -0.809 2.168 1.00 16.16 C ATOM 174 C ALA A 116 5.796 0.553 1.500 1.00 17.60 C ATOM 175 O ALA A 116 5.576 0.643 0.289 1.00 19.68 O ATOM 176 CB ALA A 116 7.382 -1.332 1.919 1.00 17.55 C ATOM 177 H ALA A 116 5.288 -2.600 1.137 1.00 0.00 H ATOM 178 N VAL A 117 5.894 1.627 2.293 1.00 18.24 N ATOM 179 CA VAL A 117 5.817 2.976 1.729 1.00 19.58 C ATOM 180 C VAL A 117 7.049 3.267 0.887 1.00 19.54 C ATOM 181 O VAL A 117 6.962 3.945 -0.141 1.00 21.91 O ATOM 182 CB VAL A 117 5.627 4.004 2.860 1.00 20.35 C ATOM 183 CG1 VAL A 117 5.975 5.435 2.406 1.00 20.47 C ATOM 184 CG2 VAL A 117 4.216 3.920 3.394 1.00 20.06 C ATOM 185 H VAL A 117 6.026 1.502 3.317 1.00 0.00 H ATOM 186 N ASP A 118 8.207 2.772 1.308 1.00 18.97 N ATOM 187 CA ASP A 118 9.438 2.892 0.539 1.00 20.36 C ATOM 188 C ASP A 118 10.332 1.712 0.891 1.00 19.43 C ATOM 189 O ASP A 118 10.047 0.959 1.836 1.00 18.78 O ATOM 190 CB ASP A 118 10.134 4.243 0.778 1.00 21.37 C ATOM 191 CG ASP A 118 10.632 4.418 2.199 1.00 21.39 C ATOM 192 OD1 ASP A 118 11.456 3.601 2.660 1.00 22.33 O ATOM 193 OD2 ASP A 118 10.212 5.402 2.855 1.00 22.43 O ATOM 194 H ASP A 118 8.236 2.279 2.223 1.00 0.00 H ATOM 195 N PRO A 119 11.427 1.510 0.143 1.00 20.32 N ATOM 196 CA PRO A 119 12.207 0.268 0.309 1.00 20.63 C ATOM 197 C PRO A 119 12.949 0.147 1.631 1.00 20.43 C ATOM 198 O PRO A 119 13.479 -0.932 1.913 1.00 21.80 O ATOM 199 CB PRO A 119 13.192 0.298 -0.870 1.00 23.50 C ATOM 200 CG PRO A 119 12.642 1.275 -1.817 1.00 24.91 C ATOM 201 CD PRO A 119 11.888 2.285 -1.025 1.00 23.06 C ATOM 202 N THR A 120 13.036 1.203 2.434 1.00 18.63 N ATOM 203 CA THR A 120 13.694 1.104 3.733 1.00 17.68 C ATOM 204 C THR A 120 12.755 0.648 4.845 1.00 15.06 C ATOM 205 O THR A 120 13.207 0.485 5.983 1.00 15.06 O ATOM 206 CB THR A 120 14.341 2.435 4.137 1.00 20.22 C ATOM 207 OG1 THR A 120 13.329 3.406 4.453 1.00 21.03 O ATOM 208 CG2 THR A 120 15.218 2.960 3.025 1.00 21.97 C ATOM 209 HG1 THR A 120 13.761 4.259 4.712 1.00 0.00 H ATOM 210 H THR A 120 12.630 2.112 2.133 1.00 0.00 H ATOM 211 N CYS A 121 11.469 0.458 4.550 1.00 14.62 N ATOM 212 CA CYS A 121 10.498 0.018 5.544 1.00 14.08 C ATOM 213 C CYS A 121 10.619 -1.491 5.714 1.00 13.37 C ATOM 214 O CYS A 121 10.524 -2.237 4.731 1.00 15.12 O ATOM 215 CB CYS A 121 9.091 0.399 5.094 1.00 14.60 C ATOM 216 SG CYS A 121 8.824 2.198 4.914 1.00 16.44 S ATOM 217 H CYS A 121 11.147 0.630 3.576 1.00 0.00 H ATOM 218 N VAL A 122 10.837 -1.956 6.949 1.00 11.86 N ATOM 219 CA VAL A 122 11.148 -3.355 7.211 1.00 12.30 C ATOM 220 C VAL A 122 10.510 -3.822 8.505 1.00 11.76 C ATOM 221 O VAL A 122 10.181 -3.035 9.396 1.00 11.53 O ATOM 222 CB VAL A 122 12.667 -3.608 7.253 1.00 14.67 C ATOM 223 CG1 VAL A 122 13.276 -3.430 5.867 1.00 16.50 C ATOM 224 CG2 VAL A 122 13.316 -2.697 8.282 1.00 15.87 C ATOM 225 H VAL A 122 10.783 -1.296 7.751 1.00 0.00 H ATOM 226 N LEU A 123 10.380 -5.143 8.595 1.00 12.25 N ATOM 227 CA LEU A 123 9.959 -5.852 9.794 1.00 11.44 C ATOM 228 C LEU A 123 11.022 -6.857 10.224 1.00 10.74 C ATOM 229 O LEU A 123 11.691 -7.481 9.384 1.00 11.97 O ATOM 230 CB LEU A 123 8.646 -6.600 9.544 1.00 12.10 C ATOM 231 CG LEU A 123 7.452 -5.707 9.210 1.00 13.79 C ATOM 232 CD1 LEU A 123 6.260 -6.557 8.845 1.00 17.32 C ATOM 233 CD2 LEU A 123 7.104 -4.775 10.350 1.00 13.64 C ATOM 234 H LEU A 123 10.594 -5.709 7.749 1.00 0.00 H ATOM 235 N CYS A 124 11.161 -7.022 11.544 1.00 10.43 N ATOM 236 CA CYS A 124 11.970 -8.108 12.078 1.00 10.18 C ATOM 237 C CYS A 124 11.256 -9.435 11.839 1.00 10.37 C ATOM 238 O CYS A 124 10.086 -9.500 11.458 1.00 10.17 O ATOM 239 CB CYS A 124 12.260 -7.900 13.569 1.00 10.74 C ATOM 240 SG CYS A 124 10.826 -8.178 14.680 1.00 9.69 S ATOM 241 H CYS A 124 10.685 -6.367 12.197 1.00 0.00 H ATOM 242 N MET A 125 11.979 -10.516 12.101 1.00 10.91 N ATOM 243 CA MET A 125 11.434 -11.841 11.841 1.00 12.08 C ATOM 244 C MET A 125 10.160 -12.090 12.645 1.00 11.37 C ATOM 245 O MET A 125 9.186 -12.657 12.129 1.00 12.22 O ATOM 246 CB MET A 125 12.499 -12.879 12.172 1.00 16.73 C ATOM 247 CG MET A 125 12.081 -14.283 11.932 1.00 23.45 C ATOM 248 SD MET A 125 13.339 -15.416 12.524 1.00 27.84 S ATOM 249 CE MET A 125 12.246 -16.814 12.783 1.00 32.25 C ATOM 250 H MET A 125 12.937 -10.417 12.493 1.00 0.00 H ATOM 251 N GLU A 126 10.166 -11.725 13.931 1.00 10.67 N ATOM 252 CA GLU A 126 8.998 -11.959 14.774 1.00 10.79 C ATOM 253 C GLU A 126 7.776 -11.237 14.219 1.00 10.73 C ATOM 254 O GLU A 126 6.681 -11.812 14.110 1.00 11.81 O ATOM 255 CB GLU A 126 9.288 -11.489 16.205 1.00 11.96 C ATOM 256 CG GLU A 126 8.059 -11.600 17.099 1.00 14.35 C ATOM 257 CD GLU A 126 8.234 -11.058 18.495 1.00 17.25 C ATOM 258 OE1 GLU A 126 9.280 -10.430 18.785 1.00 19.57 O ATOM 259 OE2 GLU A 126 7.288 -11.251 19.297 1.00 19.69 O ATOM 260 H GLU A 126 11.010 -11.270 14.334 1.00 0.00 H ATOM 261 N CYS A 127 7.949 -9.968 13.878 1.00 9.90 N ATOM 262 CA CYS A 127 6.826 -9.163 13.421 1.00 9.99 C ATOM 263 C CYS A 127 6.358 -9.601 12.037 1.00 10.37 C ATOM 264 O CYS A 127 5.152 -9.710 11.800 1.00 11.44 O ATOM 265 CB CYS A 127 7.215 -7.684 13.482 1.00 9.79 C ATOM 266 SG CYS A 127 7.483 -7.150 15.194 1.00 9.99 S ATOM 267 H CYS A 127 8.896 -9.543 13.938 1.00 0.00 H ATOM 268 N PHE A 128 7.298 -9.913 11.140 1.00 10.39 N ATOM 269 CA PHE A 128 6.942 -10.394 9.808 1.00 10.64 C ATOM 270 C PHE A 128 6.064 -11.638 9.898 1.00 11.34 C ATOM 271 O PHE A 128 5.020 -11.725 9.235 1.00 11.60 O ATOM 272 CB PHE A 128 8.215 -10.670 8.993 1.00 10.50 C ATOM 273 CG PHE A 128 7.954 -11.379 7.706 1.00 11.93 C ATOM 274 CD1 PHE A 128 7.345 -10.732 6.640 1.00 13.48 C ATOM 275 CD2 PHE A 128 8.307 -12.715 7.553 1.00 14.92 C ATOM 276 CE1 PHE A 128 7.095 -11.409 5.454 1.00 15.65 C ATOM 277 CE2 PHE A 128 8.057 -13.381 6.375 1.00 17.36 C ATOM 278 CZ PHE A 128 7.454 -12.723 5.335 1.00 16.68 C ATOM 279 H PHE A 128 8.301 -9.811 11.395 1.00 0.00 H ATOM 280 N LEU A 129 6.483 -12.621 10.704 1.00 11.04 N ATOM 281 CA LEU A 129 5.789 -13.900 10.761 1.00 11.50 C ATOM 282 C LEU A 129 4.414 -13.789 11.411 1.00 12.38 C ATOM 283 O LEU A 129 3.575 -14.673 11.206 1.00 14.23 O ATOM 284 CB LEU A 129 6.666 -14.935 11.457 1.00 12.22 C ATOM 285 CG LEU A 129 7.937 -15.364 10.713 1.00 13.87 C ATOM 286 CD1 LEU A 129 8.763 -16.262 11.613 1.00 14.24 C ATOM 287 CD2 LEU A 129 7.613 -16.061 9.398 1.00 15.38 C ATOM 288 H LEU A 129 7.321 -12.468 11.301 1.00 0.00 H ATOM 289 N GLY A 130 4.173 -12.720 12.185 1.00 11.80 N ATOM 290 CA GLY A 130 2.876 -12.449 12.779 1.00 11.80 C ATOM 291 C GLY A 130 2.077 -11.365 12.079 1.00 12.64 C ATOM 292 O GLY A 130 1.114 -10.844 12.659 1.00 13.89 O ATOM 293 H GLY A 130 4.951 -12.055 12.368 1.00 0.00 H ATOM 294 N SER A 131 2.436 -11.036 10.834 1.00 12.90 N ATOM 295 CA SER A 131 1.837 -9.934 10.085 1.00 12.88 C ATOM 296 C SER A 131 1.098 -10.462 8.860 1.00 13.85 C ATOM 297 O SER A 131 1.283 -11.604 8.427 1.00 13.96 O ATOM 298 CB SER A 131 2.909 -8.927 9.624 1.00 13.08 C ATOM 299 OG SER A 131 3.620 -9.398 8.479 1.00 13.74 O ATOM 300 HG SER A 131 4.069 -10.252 8.699 1.00 0.00 H ATOM 301 H SER A 131 3.182 -11.595 10.374 1.00 0.00 H ATOM 302 N ILE A 132 0.285 -9.589 8.257 1.00 14.50 N ATOM 303 CA ILE A 132 -0.372 -9.950 7.002 1.00 15.00 C ATOM 304 C ILE A 132 0.613 -10.139 5.856 1.00 13.77 C ATOM 305 O ILE A 132 0.271 -10.783 4.856 1.00 14.77 O ATOM 306 CB ILE A 132 -1.441 -8.919 6.573 1.00 16.96 C ATOM 307 CG1 ILE A 132 -0.814 -7.562 6.259 1.00 16.54 C ATOM 308 CG2 ILE A 132 -2.524 -8.804 7.605 1.00 19.44 C ATOM 309 CD1 ILE A 132 -1.725 -6.596 5.548 1.00 19.57 C ATOM 310 H ILE A 132 0.120 -8.654 8.680 1.00 0.00 H ATOM 311 N HIS A 133 1.821 -9.576 5.958 1.00 12.92 N ATOM 312 CA HIS A 133 2.748 -9.534 4.834 1.00 12.69 C ATOM 313 C HIS A 133 3.403 -10.871 4.540 1.00 13.94 C ATOM 314 O HIS A 133 3.965 -11.035 3.447 1.00 15.20 O ATOM 315 CB HIS A 133 3.780 -8.441 5.083 1.00 12.45 C ATOM 316 CG HIS A 133 3.156 -7.154 5.500 1.00 12.52 C ATOM 317 ND1 HIS A 133 2.392 -6.379 4.651 1.00 12.79 N ATOM 318 CD2 HIS A 133 3.130 -6.543 6.705 1.00 12.75 C ATOM 319 CE1 HIS A 133 1.943 -5.331 5.327 1.00 12.97 C ATOM 320 NE2 HIS A 133 2.369 -5.414 6.576 1.00 12.98 N ATOM 321 H HIS A 133 2.108 -9.156 6.865 1.00 0.00 H ATOM 322 N ARG A 134 3.312 -11.836 5.452 1.00 14.80 N ATOM 323 CA ARG A 134 3.818 -13.158 5.121 1.00 17.34 C ATOM 324 C ARG A 134 3.023 -13.811 3.998 1.00 17.68 C ATOM 325 O ARG A 134 3.502 -14.781 3.418 1.00 20.84 O ATOM 326 CB ARG A 134 3.864 -14.045 6.363 1.00 18.64 C ATOM 327 CG ARG A 134 2.512 -14.433 6.910 1.00 18.06 C ATOM 328 CD ARG A 134 2.679 -15.407 8.070 1.00 19.25 C ATOM 329 NE ARG A 134 3.245 -16.675 7.616 1.00 20.29 N ATOM 330 CZ ARG A 134 4.000 -17.499 8.341 1.00 19.04 C ATOM 331 NH1 ARG A 134 4.321 -17.215 9.590 1.00 18.53 N ATOM 332 NH2 ARG A 134 4.445 -18.615 7.798 1.00 20.10 N ATOM 333 HE ARG A 134 3.040 -16.960 6.637 1.00 0.00 H ATOM 334 HH12 ARG A 134 4.912 -17.873 10.138 1.00 0.00 H ATOM 335 HH11 ARG A 134 3.983 -16.333 10.026 1.00 0.00 H ATOM 336 HH22 ARG A 134 5.035 -19.265 8.355 1.00 0.00 H ATOM 337 HH21 ARG A 134 4.206 -18.845 6.812 1.00 0.00 H ATOM 338 H ARG A 134 2.887 -11.648 6.383 1.00 0.00 H ATOM 339 N ASP A 135 1.854 -13.275 3.656 1.00 16.72 N ATOM 340 CA ASP A 135 1.042 -13.738 2.540 1.00 18.19 C ATOM 341 C ASP A 135 1.162 -12.848 1.304 1.00 17.73 C ATOM 342 O ASP A 135 0.409 -13.040 0.339 1.00 20.87 O ATOM 343 CB ASP A 135 -0.422 -13.807 2.970 1.00 20.18 C ATOM 344 CG ASP A 135 -0.682 -14.904 3.975 1.00 23.89 C ATOM 345 OD1 ASP A 135 -0.080 -15.986 3.851 1.00 24.76 O ATOM 346 OD2 ASP A 135 -1.479 -14.677 4.902 1.00 27.89 O ATOM 347 H ASP A 135 1.499 -12.477 4.220 1.00 0.00 H ATOM 348 N HIS A 136 2.111 -11.910 1.295 1.00 16.16 N ATOM 349 CA HIS A 136 2.316 -10.928 0.235 1.00 16.65 C ATOM 350 C HIS A 136 3.651 -11.186 -0.470 1.00 17.17 C ATOM 351 O HIS A 136 4.370 -12.136 -0.155 1.00 18.20 O ATOM 352 CB HIS A 136 2.280 -9.516 0.831 1.00 15.76 C ATOM 353 CG HIS A 136 0.955 -9.144 1.421 1.00 14.95 C ATOM 354 ND1 HIS A 136 0.758 -7.977 2.138 1.00 14.73 N ATOM 355 CD2 HIS A 136 -0.239 -9.785 1.404 1.00 16.77 C ATOM 356 CE1 HIS A 136 -0.512 -7.909 2.503 1.00 15.07 C ATOM 357 NE2 HIS A 136 -1.136 -8.995 2.076 1.00 16.75 N ATOM 358 H HIS A 136 2.757 -11.876 2.109 1.00 0.00 H ATOM 359 N ARG A 137 3.963 -10.344 -1.461 1.00 17.46 N ATOM 360 CA ARG A 137 5.268 -10.377 -2.128 1.00 18.46 C ATOM 361 C ARG A 137 6.295 -9.702 -1.230 1.00 19.49 C ATOM 362 O ARG A 137 6.454 -8.488 -1.262 1.00 23.44 O ATOM 363 CB ARG A 137 5.210 -9.626 -3.451 1.00 21.45 C ATOM 364 CG ARG A 137 4.461 -10.300 -4.556 1.00 22.72 C ATOM 365 CD ARG A 137 4.608 -9.487 -5.842 1.00 22.85 C ATOM 366 NE ARG A 137 4.265 -8.088 -5.600 1.00 23.76 N ATOM 367 CZ ARG A 137 4.838 -7.047 -6.195 1.00 24.73 C ATOM 368 NH1 ARG A 137 5.789 -7.224 -7.104 1.00 26.10 N ATOM 369 NH2 ARG A 137 4.455 -5.818 -5.868 1.00 25.71 N ATOM 370 HE ARG A 137 3.514 -7.891 -4.908 1.00 0.00 H ATOM 371 HH12 ARG A 137 6.230 -6.401 -7.563 1.00 0.00 H ATOM 372 HH11 ARG A 137 6.093 -8.186 -7.358 1.00 0.00 H ATOM 373 HH22 ARG A 137 4.897 -4.996 -6.327 1.00 0.00 H ATOM 374 HH21 ARG A 137 3.713 -5.678 -5.153 1.00 0.00 H ATOM 375 H ARG A 137 3.258 -9.644 -1.768 1.00 0.00 H ATOM 376 N TYR A 138 7.032 -10.475 -0.458 1.00 20.59 N ATOM 377 CA TYR A 138 7.992 -9.900 0.472 1.00 20.71 C ATOM 378 C TYR A 138 9.420 -10.029 -0.054 1.00 21.81 C ATOM 379 O TYR A 138 9.708 -10.800 -0.975 1.00 22.66 O ATOM 380 CB TYR A 138 7.872 -10.559 1.847 1.00 21.34 C ATOM 381 CG TYR A 138 8.107 -12.048 1.838 1.00 23.27 C ATOM 382 CD1 TYR A 138 9.384 -12.570 1.964 1.00 26.06 C ATOM 383 CD2 TYR A 138 7.048 -12.931 1.722 1.00 24.07 C ATOM 384 CE1 TYR A 138 9.599 -13.934 1.962 1.00 27.97 C ATOM 385 CE2 TYR A 138 7.250 -14.292 1.709 1.00 27.46 C ATOM 386 CZ TYR A 138 8.524 -14.788 1.836 1.00 28.77 C ATOM 387 OH TYR A 138 8.725 -16.148 1.826 1.00 32.86 O ATOM 388 HH TYR A 138 9.691 -16.338 1.927 1.00 0.00 H ATOM 389 H TYR A 138 6.926 -11.508 -0.514 1.00 0.00 H ATOM 390 N ARG A 139 10.315 -9.245 0.549 1.00 23.05 N ATOM 391 CA ARG A 139 11.732 -9.205 0.195 1.00 24.33 C ATOM 392 C ARG A 139 12.541 -9.344 1.481 1.00 22.33 C ATOM 393 O ARG A 139 12.365 -8.555 2.416 1.00 22.75 O ATOM 394 CB ARG A 139 12.054 -7.861 -0.476 1.00 27.97 C ATOM 395 CG ARG A 139 13.532 -7.580 -0.752 1.00 32.36 C ATOM 396 CD ARG A 139 13.827 -6.070 -0.708 1.00 35.47 C ATOM 397 NE ARG A 139 14.171 -5.604 0.637 1.00 38.24 N ATOM 398 CZ ARG A 139 13.988 -4.361 1.083 1.00 40.23 C ATOM 399 NH1 ARG A 139 13.443 -3.437 0.300 1.00 40.89 N ATOM 400 NH2 ARG A 139 14.340 -4.043 2.324 1.00 40.34 N ATOM 401 HE ARG A 139 14.589 -6.294 1.293 1.00 0.00 H ATOM 402 HH12 ARG A 139 13.304 -2.470 0.656 1.00 0.00 H ATOM 403 HH11 ARG A 139 13.155 -3.681 -0.669 1.00 0.00 H ATOM 404 HH22 ARG A 139 14.198 -3.074 2.673 1.00 0.00 H ATOM 405 HH21 ARG A 139 14.758 -4.763 2.947 1.00 0.00 H ATOM 406 H ARG A 139 9.985 -8.626 1.316 1.00 0.00 H ATOM 407 N MET A 140 13.428 -10.329 1.542 1.00 21.89 N ATOM 408 CA MET A 140 14.298 -10.511 2.696 1.00 22.51 C ATOM 409 C MET A 140 15.692 -9.992 2.366 1.00 23.31 C ATOM 410 O MET A 140 16.281 -10.363 1.342 1.00 25.24 O ATOM 411 CB MET A 140 14.357 -11.982 3.119 1.00 23.54 C ATOM 412 CG MET A 140 15.089 -12.229 4.444 1.00 25.01 C ATOM 413 SD MET A 140 16.894 -12.085 4.361 1.00 25.84 S ATOM 414 CE MET A 140 17.249 -13.518 3.355 1.00 27.38 C ATOM 415 H MET A 140 13.504 -10.990 0.743 1.00 0.00 H ATOM 416 N THR A 141 16.208 -9.133 3.238 1.00 24.70 N ATOM 417 CA THR A 141 17.550 -8.585 3.127 1.00 26.37 C ATOM 418 C THR A 141 18.237 -8.793 4.468 1.00 26.09 C ATOM 419 O THR A 141 17.663 -8.469 5.514 1.00 25.23 O ATOM 420 CB THR A 141 17.487 -7.082 2.821 1.00 29.42 C ATOM 421 OG1 THR A 141 16.853 -6.870 1.551 1.00 30.64 O ATOM 422 CG2 THR A 141 18.881 -6.467 2.819 1.00 31.46 C ATOM 423 HG1 THR A 141 16.816 -5.899 1.360 1.00 0.00 H ATOM 424 H THR A 141 15.620 -8.837 4.043 1.00 0.00 H ATOM 425 N THR A 142 19.460 -9.327 4.429 1.00 27.40 N ATOM 426 CA THR A 142 20.256 -9.535 5.631 1.00 29.72 C ATOM 427 C THR A 142 20.815 -8.203 6.108 1.00 29.57 C ATOM 428 O THR A 142 21.390 -7.444 5.321 1.00 31.63 O ATOM 429 CB THR A 142 21.411 -10.491 5.322 1.00 32.76 C ATOM 430 OG1 THR A 142 20.888 -11.794 5.046 1.00 35.07 O ATOM 431 CG2 THR A 142 22.379 -10.582 6.492 1.00 34.17 C ATOM 432 HG1 THR A 142 21.635 -12.413 4.846 1.00 0.00 H ATOM 433 H THR A 142 19.858 -9.604 3.509 1.00 0.00 H ATOM 434 N SER A 143 20.673 -7.925 7.397 1.00 28.22 N ATOM 435 CA SER A 143 21.215 -6.693 7.944 1.00 27.86 C ATOM 436 C SER A 143 22.725 -6.793 8.082 1.00 26.20 C ATOM 437 O SER A 143 23.265 -7.840 8.447 1.00 27.47 O ATOM 438 CB SER A 143 20.621 -6.403 9.320 1.00 27.28 C ATOM 439 OG SER A 143 21.142 -5.187 9.835 1.00 28.83 O ATOM 440 HG SER A 143 20.749 -5.012 10.726 1.00 0.00 H ATOM 441 H SER A 143 20.172 -8.591 8.019 1.00 0.00 H ATOM 442 N GLY A 144 23.399 -5.697 7.777 1.00 26.94 N ATOM 443 CA GLY A 144 24.789 -5.557 8.133 1.00 27.12 C ATOM 444 C GLY A 144 24.997 -5.104 9.556 1.00 26.79 C ATOM 445 O GLY A 144 26.137 -4.944 9.998 1.00 28.32 O ATOM 446 H GLY A 144 22.919 -4.924 7.273 1.00 0.00 H ATOM 447 N GLY A 145 23.905 -4.901 10.292 1.00 25.11 N ATOM 448 CA GLY A 145 23.965 -4.369 11.638 1.00 24.60 C ATOM 449 C GLY A 145 23.368 -2.980 11.686 1.00 23.14 C ATOM 450 O GLY A 145 23.683 -2.142 10.837 1.00 24.76 O ATOM 451 H GLY A 145 22.976 -5.133 9.886 1.00 0.00 H ATOM 452 N GLY A 146 22.502 -2.724 12.658 1.00 20.10 N ATOM 453 CA GLY A 146 21.820 -1.451 12.720 1.00 20.23 C ATOM 454 C GLY A 146 20.528 -1.446 11.929 1.00 17.86 C ATOM 455 O GLY A 146 20.152 -2.409 11.250 1.00 19.36 O ATOM 456 H GLY A 146 22.312 -3.446 13.382 1.00 0.00 H ATOM 457 N GLY A 147 19.850 -0.308 11.997 1.00 16.63 N ATOM 458 CA GLY A 147 18.492 -0.204 11.519 1.00 15.36 C ATOM 459 C GLY A 147 17.542 -0.823 12.524 1.00 13.32 C ATOM 460 O GLY A 147 17.946 -1.468 13.492 1.00 13.83 O ATOM 461 H GLY A 147 20.309 0.531 12.405 1.00 0.00 H ATOM 462 N PHE A 148 16.246 -0.617 12.301 1.00 11.71 N ATOM 463 CA PHE A 148 15.268 -1.053 13.287 1.00 11.10 C ATOM 464 C PHE A 148 13.966 -1.478 12.612 1.00 10.41 C ATOM 465 O PHE A 148 13.644 -1.074 11.488 1.00 10.94 O ATOM 466 CB PHE A 148 15.023 0.024 14.368 1.00 11.74 C ATOM 467 CG PHE A 148 14.502 1.331 13.817 1.00 11.80 C ATOM 468 CD1 PHE A 148 13.143 1.531 13.637 1.00 12.36 C ATOM 469 CD2 PHE A 148 15.383 2.348 13.468 1.00 12.39 C ATOM 470 CE1 PHE A 148 12.665 2.713 13.111 1.00 13.31 C ATOM 471 CE2 PHE A 148 14.910 3.545 12.958 1.00 13.07 C ATOM 472 CZ PHE A 148 13.551 3.724 12.783 1.00 13.37 C ATOM 473 H PHE A 148 15.934 -0.147 11.427 1.00 0.00 H ATOM 474 N CYS A 149 13.200 -2.274 13.346 1.00 10.39 N ATOM 475 CA CYS A 149 11.910 -2.761 12.890 1.00 10.37 C ATOM 476 C CYS A 149 10.870 -1.643 12.900 1.00 10.20 C ATOM 477 O CYS A 149 10.777 -0.887 13.866 1.00 10.00 O ATOM 478 CB CYS A 149 11.473 -3.889 13.821 1.00 10.76 C ATOM 479 SG CYS A 149 9.846 -4.586 13.425 1.00 9.82 S ATOM 480 H CYS A 149 13.537 -2.561 14.287 1.00 0.00 H ATOM 481 N ASP A 150 10.074 -1.574 11.832 1.00 10.36 N ATOM 482 CA ASP A 150 9.038 -0.564 11.654 1.00 9.92 C ATOM 483 C ASP A 150 7.639 -1.054 12.017 1.00 10.17 C ATOM 484 O ASP A 150 6.650 -0.401 11.658 1.00 11.65 O ATOM 485 CB ASP A 150 9.050 -0.044 10.216 1.00 10.87 C ATOM 486 CG ASP A 150 10.354 0.624 9.857 1.00 11.40 C ATOM 487 OD1 ASP A 150 10.767 1.566 10.576 1.00 11.93 O ATOM 488 OD2 ASP A 150 10.986 0.188 8.873 1.00 12.08 O ATOM 489 H ASP A 150 10.200 -2.283 11.082 1.00 0.00 H ATOM 490 N CYS A 151 7.531 -2.166 12.744 1.00 10.23 N ATOM 491 CA CYS A 151 6.227 -2.620 13.191 1.00 10.84 C ATOM 492 C CYS A 151 5.589 -1.545 14.051 1.00 12.98 C ATOM 493 O CYS A 151 6.202 -1.034 15.002 1.00 14.31 O ATOM 494 CB CYS A 151 6.366 -3.907 14.011 1.00 11.95 C ATOM 495 SG CYS A 151 4.791 -4.449 14.718 1.00 14.25 S ATOM 496 H CYS A 151 8.383 -2.709 12.991 1.00 0.00 H ATOM 497 N GLY A 152 4.346 -1.214 13.716 1.00 12.97 N ATOM 498 CA GLY A 152 3.597 -0.228 14.444 1.00 16.01 C ATOM 499 C GLY A 152 3.684 1.174 13.892 1.00 17.69 C ATOM 500 O GLY A 152 2.965 2.048 14.381 1.00 20.74 O ATOM 501 H GLY A 152 3.902 -1.684 12.901 1.00 0.00 H ATOM 502 N ASP A 153 4.544 1.429 12.908 1.00 17.80 N ATOM 503 CA ASP A 153 4.661 2.764 12.330 1.00 17.40 C ATOM 504 C ASP A 153 3.660 2.861 11.193 1.00 18.54 C ATOM 505 O ASP A 153 3.886 2.334 10.103 1.00 18.23 O ATOM 506 CB ASP A 153 6.068 3.052 11.825 1.00 17.45 C ATOM 507 CG ASP A 153 6.249 4.523 11.448 1.00 17.35 C ATOM 508 OD1 ASP A 153 5.225 5.216 11.258 1.00 20.77 O ATOM 509 OD2 ASP A 153 7.385 5.002 11.336 1.00 16.65 O ATOM 510 H ASP A 153 5.144 0.662 12.544 1.00 0.00 H ATOM 511 N THR A 154 2.559 3.569 11.442 1.00 21.47 N ATOM 512 CA THR A 154 1.503 3.686 10.448 1.00 23.12 C ATOM 513 C THR A 154 1.947 4.453 9.209 1.00 22.84 C ATOM 514 O THR A 154 1.297 4.341 8.162 1.00 26.73 O ATOM 515 CB THR A 154 0.277 4.332 11.092 1.00 24.10 C ATOM 516 OG1 THR A 154 0.696 5.321 12.047 1.00 25.20 O ATOM 517 CG2 THR A 154 -0.544 3.273 11.799 1.00 25.20 C ATOM 518 HG1 THR A 154 -0.101 5.737 12.461 1.00 0.00 H ATOM 519 H THR A 154 2.453 4.045 12.361 1.00 0.00 H ATOM 520 N GLU A 155 3.029 5.215 9.296 1.00 21.86 N ATOM 521 CA GLU A 155 3.542 5.921 8.133 1.00 21.34 C ATOM 522 C GLU A 155 4.518 5.083 7.307 1.00 20.31 C ATOM 523 O GLU A 155 4.970 5.546 6.258 1.00 20.62 O ATOM 524 CB GLU A 155 4.194 7.238 8.562 1.00 22.29 C ATOM 525 CG GLU A 155 3.256 8.208 9.317 1.00 24.33 C ATOM 526 CD GLU A 155 2.042 8.623 8.512 1.00 27.63 C ATOM 527 OE1 GLU A 155 2.159 8.774 7.275 1.00 26.91 O ATOM 528 OE2 GLU A 155 0.960 8.817 9.121 1.00 31.50 O ATOM 529 H GLU A 155 3.518 5.309 10.209 1.00 0.00 H ATOM 530 N ALA A 156 4.838 3.861 7.737 1.00 18.57 N ATOM 531 CA ALA A 156 5.738 2.981 6.994 1.00 16.90 C ATOM 532 C ALA A 156 5.006 1.982 6.106 1.00 15.78 C ATOM 533 O ALA A 156 5.647 1.330 5.264 1.00 16.62 O ATOM 534 CB ALA A 156 6.636 2.197 7.964 1.00 15.61 C ATOM 535 H ALA A 156 4.432 3.523 8.633 1.00 0.00 H ATOM 536 N TRP A 157 3.696 1.805 6.298 1.00 15.67 N ATOM 537 CA TRP A 157 2.962 0.709 5.672 1.00 15.71 C ATOM 538 C TRP A 157 1.638 1.218 5.123 1.00 17.10 C ATOM 539 O TRP A 157 0.902 1.927 5.815 1.00 18.67 O ATOM 540 CB TRP A 157 2.707 -0.420 6.687 1.00 14.85 C ATOM 541 CG TRP A 157 3.967 -0.880 7.346 1.00 13.85 C ATOM 542 CD1 TRP A 157 4.407 -0.552 8.606 1.00 13.29 C ATOM 543 CD2 TRP A 157 4.994 -1.682 6.754 1.00 12.81 C ATOM 544 NE1 TRP A 157 5.623 -1.132 8.834 1.00 13.31 N ATOM 545 CE2 TRP A 157 6.010 -1.833 7.724 1.00 12.95 C ATOM 546 CE3 TRP A 157 5.141 -2.312 5.510 1.00 14.28 C ATOM 547 CZ2 TRP A 157 7.164 -2.541 7.471 1.00 13.19 C ATOM 548 CZ3 TRP A 157 6.272 -3.025 5.263 1.00 15.07 C ATOM 549 CH2 TRP A 157 7.272 -3.145 6.242 1.00 14.26 C ATOM 550 HE1 TRP A 157 6.170 -1.053 9.715 1.00 0.00 H ATOM 551 H TRP A 157 3.183 2.469 6.913 1.00 0.00 H ATOM 552 N LYS A 158 1.324 0.823 3.889 1.00 17.07 N ATOM 553 CA LYS A 158 0.047 1.202 3.291 1.00 19.17 C ATOM 554 C LYS A 158 -1.104 0.397 3.865 1.00 18.67 C ATOM 555 O LYS A 158 -2.250 0.850 3.830 1.00 21.70 O ATOM 556 CB LYS A 158 0.121 1.043 1.770 1.00 20.68 C ATOM 557 CG LYS A 158 1.042 2.074 1.152 1.00 24.17 C ATOM 558 CD LYS A 158 1.084 1.997 -0.349 1.00 26.49 C ATOM 559 CE LYS A 158 1.923 0.826 -0.802 1.00 28.94 C ATOM 560 NZ LYS A 158 2.369 1.000 -2.211 1.00 31.15 N ATOM 561 HZ1 LYS A 158 1.537 1.073 -2.830 1.00 0.00 H ATOM 562 HZ2 LYS A 158 2.938 1.867 -2.289 1.00 0.00 H ATOM 563 HZ3 LYS A 158 2.943 0.181 -2.495 1.00 0.00 H ATOM 564 H LYS A 158 1.994 0.240 3.348 1.00 0.00 H ATOM 565 N GLU A 159 -0.801 -0.769 4.414 1.00 17.45 N ATOM 566 CA GLU A 159 -1.747 -1.671 5.041 1.00 18.50 C ATOM 567 C GLU A 159 -0.965 -2.510 6.044 1.00 15.60 C ATOM 568 O GLU A 159 0.237 -2.729 5.875 1.00 14.22 O ATOM 569 CB GLU A 159 -2.359 -2.568 3.960 1.00 22.37 C ATOM 570 CG GLU A 159 -3.301 -3.636 4.448 1.00 29.37 C ATOM 571 CD GLU A 159 -3.942 -4.405 3.308 1.00 34.26 C ATOM 572 OE1 GLU A 159 -3.683 -4.062 2.135 1.00 35.58 O ATOM 573 OE2 GLU A 159 -4.708 -5.349 3.585 1.00 36.69 O ATOM 574 H GLU A 159 0.197 -1.062 4.394 1.00 0.00 H ATOM 575 N GLY A 160 -1.648 -2.974 7.085 1.00 15.72 N ATOM 576 CA GLY A 160 -1.060 -3.909 8.026 1.00 15.42 C ATOM 577 C GLY A 160 0.174 -3.406 8.778 1.00 13.95 C ATOM 578 O GLY A 160 1.202 -4.094 8.846 1.00 12.79 O ATOM 579 H GLY A 160 -2.629 -2.659 7.229 1.00 0.00 H ATOM 580 N PRO A 161 0.083 -2.238 9.422 1.00 14.81 N ATOM 581 CA PRO A 161 1.279 -1.701 10.097 1.00 15.42 C ATOM 582 C PRO A 161 1.706 -2.470 11.331 1.00 15.51 C ATOM 583 O PRO A 161 2.889 -2.408 11.690 1.00 17.69 O ATOM 584 CB PRO A 161 0.873 -0.260 10.439 1.00 17.65 C ATOM 585 CG PRO A 161 -0.604 -0.321 10.538 1.00 18.35 C ATOM 586 CD PRO A 161 -1.047 -1.293 9.479 1.00 18.04 C ATOM 587 N TYR A 162 0.801 -3.171 11.998 1.00 15.37 N ATOM 588 CA TYR A 162 1.128 -3.899 13.215 1.00 15.09 C ATOM 589 C TYR A 162 1.036 -5.399 12.962 1.00 14.30 C ATOM 590 O TYR A 162 0.216 -5.854 12.170 1.00 16.57 O ATOM 591 CB TYR A 162 0.142 -3.539 14.339 1.00 18.27 C ATOM 592 CG TYR A 162 0.313 -2.162 14.983 1.00 21.14 C ATOM 593 CD1 TYR A 162 -0.334 -1.045 14.475 1.00 22.99 C ATOM 594 CD2 TYR A 162 1.112 -1.995 16.111 1.00 23.48 C ATOM 595 CE1 TYR A 162 -0.193 0.207 15.075 1.00 24.98 C ATOM 596 CE2 TYR A 162 1.262 -0.751 16.721 1.00 25.27 C ATOM 597 CZ TYR A 162 0.616 0.348 16.193 1.00 25.85 C ATOM 598 OH TYR A 162 0.769 1.591 16.798 1.00 28.52 O ATOM 599 HH TYR A 162 0.244 2.266 16.299 1.00 0.00 H ATOM 600 H TYR A 162 -0.175 -3.202 11.640 1.00 0.00 H ATOM 601 N CYS A 163 1.870 -6.169 13.663 1.00 14.24 N ATOM 602 CA CYS A 163 1.740 -7.615 13.752 1.00 13.54 C ATOM 603 C CYS A 163 0.802 -8.008 14.896 1.00 14.09 C ATOM 604 O CYS A 163 0.369 -7.176 15.694 1.00 15.34 O ATOM 605 CB CYS A 163 3.120 -8.242 13.947 1.00 12.53 C ATOM 606 SG CYS A 163 3.776 -8.108 15.630 1.00 11.56 S ATOM 607 H CYS A 163 2.653 -5.712 14.172 1.00 0.00 H ATOM 608 N GLN A 164 0.514 -9.308 14.998 1.00 15.34 N ATOM 609 CA GLN A 164 -0.420 -9.780 16.022 1.00 16.49 C ATOM 610 C GLN A 164 0.107 -9.578 17.437 1.00 16.91 C ATOM 611 O GLN A 164 -0.684 -9.461 18.376 1.00 19.14 O ATOM 612 CB GLN A 164 -0.696 -11.261 15.827 1.00 19.00 C ATOM 613 CG GLN A 164 -1.492 -11.607 14.606 1.00 23.31 C ATOM 614 CD GLN A 164 -1.926 -13.063 14.609 1.00 27.25 C ATOM 615 OE1 GLN A 164 -1.095 -13.977 14.576 1.00 29.92 O ATOM 616 NE2 GLN A 164 -3.234 -13.287 14.674 1.00 29.26 N ATOM 617 HE22 GLN A 164 -3.898 -12.487 14.700 1.00 0.00 H ATOM 618 HE21 GLN A 164 -3.594 -14.262 14.699 1.00 0.00 H ATOM 619 H GLN A 164 0.955 -9.988 14.347 1.00 0.00 H ATOM 620 N LYS A 165 1.422 -9.555 17.616 1.00 15.38 N ATOM 621 CA LYS A 165 2.004 -9.402 18.940 1.00 17.27 C ATOM 622 C LYS A 165 1.948 -7.960 19.435 1.00 16.27 C ATOM 623 O LYS A 165 1.848 -7.738 20.646 1.00 19.31 O ATOM 624 CB LYS A 165 3.450 -9.911 18.901 1.00 19.93 C ATOM 625 CG LYS A 165 4.061 -10.231 20.253 1.00 24.89 C ATOM 626 CD LYS A 165 5.033 -9.160 20.652 1.00 27.44 C ATOM 627 CE LYS A 165 5.740 -9.509 21.959 1.00 27.14 C ATOM 628 NZ LYS A 165 6.745 -10.608 21.840 1.00 25.71 N ATOM 629 HZ1 LYS A 165 6.273 -11.473 21.508 1.00 0.00 H ATOM 630 HZ2 LYS A 165 7.481 -10.331 21.160 1.00 0.00 H ATOM 631 HZ3 LYS A 165 7.178 -10.782 22.769 1.00 0.00 H ATOM 632 H LYS A 165 2.050 -9.648 16.792 1.00 0.00 H ATOM 633 N HIS A 166 2.003 -6.973 18.534 1.00 15.32 N ATOM 634 CA HIS A 166 2.100 -5.579 18.946 1.00 15.21 C ATOM 635 C HIS A 166 0.826 -4.772 18.722 1.00 16.93 C ATOM 636 O HIS A 166 0.714 -3.668 19.272 1.00 18.48 O ATOM 637 CB HIS A 166 3.312 -4.898 18.273 1.00 14.92 C ATOM 638 CG HIS A 166 4.617 -5.484 18.700 1.00 13.61 C ATOM 639 ND1 HIS A 166 5.456 -6.185 17.846 1.00 13.28 N ATOM 640 CD2 HIS A 166 5.198 -5.513 19.922 1.00 16.58 C ATOM 641 CE1 HIS A 166 6.494 -6.619 18.550 1.00 13.96 C ATOM 642 NE2 HIS A 166 6.369 -6.208 19.798 1.00 16.62 N ATOM 643 H HIS A 166 1.976 -7.205 17.521 1.00 0.00 H ATOM 644 N GLU A 167 -0.151 -5.306 17.988 1.00 16.18 N ATOM 645 CA GLU A 167 -1.403 -4.594 17.746 1.00 17.77 C ATOM 646 C GLU A 167 -2.166 -4.336 19.042 1.00 20.08 C ATOM 647 O GLU A 167 -2.959 -3.394 19.085 1.00 22.47 O ATOM 648 CB GLU A 167 -2.304 -5.396 16.803 1.00 17.69 C ATOM 649 CG GLU A 167 -2.850 -6.693 17.403 1.00 19.03 C ATOM 650 CD GLU A 167 -3.689 -7.493 16.430 1.00 20.69 C ATOM 651 OE1 GLU A 167 -4.220 -6.885 15.484 1.00 22.28 O ATOM 652 OE2 GLU A 167 -3.825 -8.727 16.616 1.00 22.00 O ATOM 653 H GLU A 167 -0.018 -6.252 17.578 1.00 0.00 H TER 654 GLU A 167 HETATM 655 ZN ZN A 1 9.674 -6.186 15.110 1.00 9.81 ZN HETATM 656 ZN ZN A 2 5.333 -6.387 15.790 1.00 11.08 ZN HETATM 657 ZN ZN A 3 2.034 -6.454 2.591 1.00 13.76 ZN HETATM 658 O HOH 4 14.241 -6.047 3.803 1.00 26.42 O HETATM 659 O HOH 5 9.590 4.026 10.490 1.00 19.32 O HETATM 660 O HOH 6 11.071 -8.684 18.183 1.00 29.49 O HETATM 661 O HOH 7 -3.129 -1.175 17.705 1.00 43.10 O HETATM 662 O HOH 8 8.920 -9.218 21.340 1.00 39.36 O HETATM 663 O HOH 9 5.232 -3.585 -7.066 1.00 40.67 O HETATM 664 O HOH 10 20.426 -5.266 18.719 1.00 43.83 O HETATM 665 O HOH 11 18.078 -7.974 17.015 1.00 19.90 O HETATM 666 O HOH 12 14.804 -10.037 12.337 1.00 18.09 O HETATM 667 O HOH 13 -3.927 -9.542 19.227 1.00 28.83 O HETATM 668 O HOH 14 4.177 7.785 4.885 1.00 33.41 O HETATM 669 O HOH 15 8.881 -0.994 15.851 1.00 14.53 O HETATM 670 O HOH 16 14.546 5.672 5.436 1.00 27.84 O HETATM 671 O HOH 17 4.576 -0.782 -1.875 1.00 32.88 O HETATM 672 O HOH 18 0.291 -6.902 9.587 1.00 18.59 O HETATM 673 O HOH 19 1.093 3.920 15.276 1.00 41.91 O HETATM 674 O HOH 20 24.724 -10.893 15.126 1.00 23.63 O HETATM 675 O HOH 21 4.385 -11.336 15.690 1.00 13.26 O HETATM 676 O HOH 22 10.015 -3.217 -0.379 1.00 30.00 O HETATM 677 O HOH 23 -2.011 -3.639 11.733 1.00 30.06 O HETATM 678 O HOH 24 -4.274 -2.336 8.033 1.00 34.55 O HETATM 679 O HOH 25 -2.244 -12.684 -0.703 1.00 36.00 O HETATM 680 O HOH 26 -1.130 2.166 7.836 1.00 35.80 O HETATM 681 O HOH 27 4.988 -12.637 18.210 1.00 23.72 O HETATM 682 O HOH 28 14.226 -15.437 4.850 1.00 37.46 O HETATM 683 O HOH 29 16.715 -4.141 20.010 1.00 25.51 O HETATM 684 O HOH 30 13.610 -12.281 -0.655 1.00 39.34 O HETATM 685 O HOH 31 -4.045 -9.484 2.581 1.00 40.19 O HETATM 686 O HOH 32 20.669 -10.000 1.774 1.00 38.99 O HETATM 687 O HOH 33 23.845 -4.182 15.639 1.00 36.68 O HETATM 688 O HOH 34 10.046 -5.057 22.050 1.00 43.98 O HETATM 689 O HOH 35 -0.815 -16.938 13.974 1.00 36.33 O HETATM 690 O HOH 36 0.749 -17.822 6.124 1.00 39.57 O HETATM 691 O HOH 37 16.392 -12.771 14.112 1.00 37.64 O HETATM 692 O HOH 38 11.211 -13.457 -1.648 1.00 43.94 O HETATM 693 O HOH 39 8.439 7.999 2.660 1.00 42.61 O HETATM 694 O HOH 40 -0.636 -4.267 22.755 1.00 41.70 O HETATM 695 O HOH 41 8.199 0.326 -1.617 1.00 38.43 O HETATM 696 O HOH 42 -1.180 -3.284 -0.185 1.00 40.02 O HETATM 697 O HOH 43 -0.643 -13.842 9.895 1.00 46.48 O HETATM 698 O HOH 44 0.998 -16.207 12.669 1.00 39.06 O HETATM 699 O HOH 45 3.747 4.600 -0.857 1.00 38.40 O HETATM 700 O HOH 46 7.564 -13.736 -1.986 1.00 40.43 O HETATM 701 O HOH 47 -2.000 -6.221 -0.860 1.00 37.25 O HETATM 702 O HOH 48 8.873 -1.798 -2.159 1.00 39.32 O HETATM 703 O HOH 49 -3.643 4.553 10.353 1.00 42.90 O HETATM 704 O HOH 50 23.013 -12.573 16.155 1.00 43.43 O HETATM 705 O HOH 51 -3.217 -2.785 14.019 1.00 39.99 O HETATM 706 O HOH 52 4.657 8.473 0.226 1.00 39.76 O HETATM 707 O HOH 53 13.818 1.380 23.486 1.00 36.86 O HETATM 708 O HOH 54 6.528 3.097 25.324 1.00 37.51 O HETATM 709 O HOH 55 17.599 1.119 25.690 1.00 39.53 O HETATM 710 O HOH 56 11.424 11.666 6.183 1.00 38.50 O HETATM 711 C1 DA A 2 8.099 5.788 8.029 1.00 0.05 C HETATM 712 NH1 DA A 2 8.904 5.821 6.836 1.00 -0.27 N HETATM 713 C2 DA A 2 8.481 6.725 5.789 1.00 0.05 C HETATM 714 H4 DA A 2 9.177 6.654 4.940 1.00 0.07 H HETATM 715 H5 DA A 2 8.477 7.755 6.174 1.00 0.07 H HETATM 716 H6 DA A 2 7.468 6.453 5.457 1.00 0.07 H HETATM 717 CZ DA A 2 10.108 5.051 6.669 1.00 0.29 C HETATM 718 NE DA A 2 10.484 4.203 7.745 1.00 -0.27 N HETATM 719 CD DA A 2 11.647 3.314 7.690 1.00 0.06 C HETATM 720 CG DA A 2 12.742 3.780 8.636 1.00 -0.01 C HETATM 721 CB DA A 2 13.998 2.940 8.419 1.00 0.01 C HETATM 722 CA DA A 2 13.867 1.483 8.889 1.00 0.07 C HETATM 723 N DA A 2 13.394 1.407 10.270 1.00 0.24 N HETATM 724 H7 DA A 2 12.462 1.787 10.327 1.00 0.20 H HETATM 725 H8 DA A 2 14.010 1.937 10.866 1.00 0.20 H HETATM 726 H9 DA A 2 13.383 0.445 10.569 1.00 0.20 H HETATM 727 C DA A 2 15.277 0.906 8.813 1.00 0.23 C HETATM 728 O DA A 2 15.994 0.879 9.838 1.00 -0.39 O HETATM 729 N DA A 2 15.685 0.463 7.626 1.00 -0.27 N HETATM 730 CA DA A 2 17.104 0.210 7.380 1.00 0.10 C HETATM 731 C DA A 2 17.736 1.341 6.582 1.00 0.06 C HETATM 732 O DA A 2 17.036 2.201 6.048 1.00 -0.57 O HETATM 733 OXT DA A 2 18.958 1.415 6.457 1.00 -0.57 O HETATM 734 CB DA A 2 17.350 -1.137 6.695 1.00 -0.01 C HETATM 735 CG1 DA A 2 16.480 -1.284 5.445 1.00 -0.05 C HETATM 736 CD1 DA A 2 16.819 -2.520 4.614 1.00 -0.06 C HETATM 737 H28 DA A 2 16.159 -2.563 3.735 1.00 0.02 H HETATM 738 H29 DA A 2 16.676 -3.423 5.225 1.00 0.02 H HETATM 739 H30 DA A 2 17.867 -2.463 4.283 1.00 0.02 H HETATM 740 H23 DA A 2 16.619 -0.392 4.816 1.00 0.03 H HETATM 741 H24 DA A 2 15.428 -1.352 5.758 1.00 0.03 H HETATM 742 CG2 DA A 2 17.109 -2.263 7.669 1.00 -0.06 C HETATM 743 H25 DA A 2 17.749 -2.126 8.553 1.00 0.02 H HETATM 744 H26 DA A 2 17.349 -3.222 7.187 1.00 0.02 H HETATM 745 H27 DA A 2 16.053 -2.262 7.977 1.00 0.02 H HETATM 746 H22 DA A 2 18.404 -1.176 6.381 1.00 0.03 H HETATM 747 H21 DA A 2 17.603 0.175 8.360 1.00 0.07 H HETATM 748 H20 DA A 2 15.018 0.302 6.899 1.00 0.19 H HETATM 749 H10 DA A 2 13.181 0.929 8.232 1.00 0.11 H HETATM 750 H11 DA A 2 14.230 2.937 7.344 1.00 0.03 H HETATM 751 H12 DA A 2 14.826 3.408 8.971 1.00 0.03 H HETATM 752 H13 DA A 2 12.970 4.838 8.439 1.00 0.03 H HETATM 753 H14 DA A 2 12.401 3.666 9.675 1.00 0.03 H HETATM 754 H15 DA A 2 11.335 2.298 7.975 1.00 0.07 H HETATM 755 H16 DA A 2 12.041 3.303 6.663 1.00 0.07 H HETATM 756 H17 DA A 2 9.913 4.214 8.602 1.00 0.26 H HETATM 757 NH2 DA A 2 10.824 5.091 5.639 1.00 -0.28 N HETATM 758 H18 DA A 2 11.675 4.514 5.581 1.00 0.26 H HETATM 759 H19 DA A 2 10.560 5.700 4.852 1.00 0.26 H HETATM 760 H1 DA A 2 7.237 6.461 7.909 1.00 0.07 H HETATM 761 H2 DA A 2 8.703 6.116 8.888 1.00 0.07 H HETATM 762 H3 DA A 2 7.742 4.762 8.202 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 14 13 655 CONECT 137 136 657 CONECT 170 169 657 CONECT 240 239 655 CONECT 266 265 655 656 CONECT 317 316 319 657 CONECT 354 353 356 657 CONECT 479 478 655 CONECT 495 494 656 CONECT 606 605 656 CONECT 639 638 641 656 CONECT 655 14 240 266 479 CONECT 656 266 495 606 639 CONECT 657 137 170 317 354 CONECT 711 712 760 761 762 CONECT 712 711 713 717 CONECT 713 712 714 715 716 CONECT 714 713 CONECT 715 713 CONECT 716 713 CONECT 717 712 718 757 CONECT 718 717 719 756 CONECT 719 718 720 754 755 CONECT 720 719 721 752 753 CONECT 721 720 722 750 751 CONECT 722 721 723 727 749 CONECT 723 722 724 725 726 CONECT 724 723 CONECT 725 723 CONECT 726 723 CONECT 727 722 728 729 CONECT 728 727 CONECT 729 727 730 748 CONECT 730 729 731 734 747 CONECT 731 730 732 733 CONECT 732 731 CONECT 733 731 CONECT 734 730 735 742 746 CONECT 735 734 736 740 741 CONECT 736 735 737 738 739 CONECT 737 736 CONECT 738 736 CONECT 739 736 CONECT 740 735 CONECT 741 735 CONECT 742 734 743 744 745 CONECT 743 742 CONECT 744 742 CONECT 745 742 CONECT 746 734 CONECT 747 730 CONECT 748 729 CONECT 749 722 CONECT 750 721 CONECT 751 721 CONECT 752 720 CONECT 753 720 CONECT 754 719 CONECT 755 719 CONECT 756 718 CONECT 757 717 758 759 CONECT 758 757 CONECT 759 757 CONECT 760 711 CONECT 761 711 CONECT 762 711 MASTER 0 0 0 0 0 0 0 0 761 1 70 6 END
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Protein Sequence Similarity
3ny3
RCSB PDB
PDBbind
75aa, >3NY3_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
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PDBbind
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3qmk
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PDBbind
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PDBbind
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4fgt
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PDBbind
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PDBbind
4-mer
4j47
RCSB PDB
PDBbind
4-mer
4j48
RCSB PDB
PDBbind
4-mer
4k63
RCSB PDB
PDBbind
4-mer
4k66
RCSB PDB
PDBbind
4-mer
4kom
RCSB PDB
PDBbind
4-mer
4kx8
RCSB PDB
PDBbind
4-mer
4lkd
RCSB PDB
PDBbind
4-mer
4lke
RCSB PDB
PDBbind
4-mer
4lkf
RCSB PDB
PDBbind
4-mer
4mbp
RCSB PDB
PDBbind
4-mer
4q4i
RCSB PDB
PDBbind
4-mer
4trw
RCSB PDB
PDBbind
4-mer
4trz
RCSB PDB
PDBbind
4-mer
4x0z
RCSB PDB
PDBbind
4-mer
4x14
RCSB PDB
PDBbind
4-mer
4z7n
RCSB PDB
PDBbind
4-mer
4z7o
RCSB PDB
PDBbind
4-mer
5ab1
RCSB PDB
PDBbind
4-mer
5ajc
RCSB PDB
PDBbind
4-mer
5azf
RCSB PDB
PDBbind
4-mer
5btv
RCSB PDB
PDBbind
4-mer
5e6o
RCSB PDB
PDBbind
4-mer
5efj
RCSB PDB
PDBbind
4-mer
5f2u
RCSB PDB
PDBbind
4-mer
5f90
RCSB PDB
PDBbind
4-mer
5izj
RCSB PDB
PDBbind
4-mer
5jop
RCSB PDB
PDBbind
4-mer
5jy0
RCSB PDB
PDBbind
4-mer
5vi6
RCSB PDB
PDBbind
4-mer
5wxp
RCSB PDB
PDBbind
4-mer
5yzd
RCSB PDB
PDBbind
4-mer
5zmq
RCSB PDB
PDBbind
4-mer
5zms
RCSB PDB
PDBbind
4-mer
6cct
RCSB PDB
PDBbind
4-mer
6ccu
RCSB PDB
PDBbind
4-mer
6cd8
RCSB PDB
PDBbind
4-mer
6cd9
RCSB PDB
PDBbind
4-mer
6cdc
RCSB PDB
PDBbind
4-mer
6m8w
RCSB PDB
PDBbind
4-mer
6m8y
RCSB PDB
PDBbind
4-mer
6m9f
RCSB PDB
PDBbind
4-mer
6msy
RCSB PDB
PDBbind
4-mer
6mu3
RCSB PDB
PDBbind
4-mer
6pu3
RCSB PDB
PDBbind
4-mer
6prg
RCSB PDB
PDBbind
4-mer
6n3f
RCSB PDB
PDBbind
4-mer
6jjn
RCSB PDB
PDBbind
4-mer
6jjm
RCSB PDB
PDBbind
4-mer
6hop
RCSB PDB
PDBbind
4-mer
Entry Information
PDB ID
5tdb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase UBR2
Ligand Name
4-mer
EC.Number
E.C.-.-.-.-
Resolution
1.1(Å)
Affinity (Kd/Ki/IC50)
Kd=1.45uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Structure Vol. 25: pp. 719-729.e3
Ligand Properties
Formula
C
1
4
H
3
1
N
5
O
3
Molecular Weight
317.428
Exact Mass
317.243
No. of atoms
53
No. of bonds
52
Polar Surface Area
137.27
LOGP Value
-1.04 (
Computed with XLOGP3
)
-1.96 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 0
Canonical SMILES
CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@H](CCC/[NH+]=C(/N(C)C)\N)[NH3+])C
InChI String
InChI=1S/C14H29N5O3/c1-5-9(2)11(13(21)22)18-12(20)10(15)7-6-8-17-14(16)19(3)4/h9-11H,5-8,15H2,1-4H3,(H2,16,17)(H,18,20)(H,21,22)/p+2/t9-,10-,11-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8IWV8
Entrez Gene ID
NCBI Entrez Gene ID:
23304
ASD
Information of known allosteric effects of PDB entries
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