Browse entries in the PDBbind-CN Database
HEADER 5SVI_COMPLEX COMPND 5SVI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 21 SER ASP GLN THR TRP VAL GLN CYS ASP ALA CYS LEU LYS SEQRES 2 A 21 TRP ARG LYS LEU PRO ASP GLY MET SEQRES 1 A 25 LEU PRO GLU LYS TRP TYR CYS SER ASN ASN PRO ASP PRO SEQRES 2 A 25 GLN PHE ARG ASN CYS GLU VAL PRO GLU GLU PRO GLU HET ZN A 1 1 HET ALA A 120 138 ATOM 1 N SER A 0 -44.213 26.505 -55.259 1.00 32.46 N ATOM 2 CA SER A 0 -43.459 26.965 -54.107 1.00 29.45 C ATOM 3 C SER A 0 -44.219 27.960 -53.252 1.00 28.82 C ATOM 4 O SER A 0 -45.221 27.603 -52.626 1.00 29.43 O ATOM 5 HN3 SER A 0 -44.453 27.318 -55.862 1.00 0.00 H ATOM 6 HN2 SER A 0 -45.086 26.040 -54.937 1.00 0.00 H ATOM 7 HN1 SER A 0 -43.638 25.828 -55.800 1.00 0.00 H ATOM 8 N ASP A 407 -43.748 29.206 -53.202 1.00 29.77 N ATOM 9 CA ASP A 407 -42.515 29.622 -53.848 1.00 27.08 C ATOM 10 C ASP A 407 -41.599 30.190 -52.764 1.00 26.85 C ATOM 11 O ASP A 407 -42.038 31.004 -51.952 1.00 26.05 O ATOM 12 CB ASP A 407 -42.795 30.653 -54.957 1.00 28.18 C ATOM 13 CG ASP A 407 -43.152 32.048 -54.425 1.00 26.92 C ATOM 14 OD1 ASP A 407 -44.130 32.211 -53.665 1.00 26.89 O ATOM 15 OD2 ASP A 407 -42.449 33.005 -54.801 1.00 25.82 O ATOM 16 H ASP A 407 -44.292 29.917 -52.673 1.00 0.00 H ATOM 17 N GLN A 408 -40.357 29.718 -52.690 1.00 24.44 N ATOM 18 CA GLN A 408 -39.417 30.217 -51.676 1.00 22.00 C ATOM 19 C GLN A 408 -38.691 31.431 -52.236 1.00 21.74 C ATOM 20 O GLN A 408 -38.074 31.346 -53.285 1.00 21.34 O ATOM 21 CB GLN A 408 -38.397 29.130 -51.315 1.00 22.48 C ATOM 22 CG GLN A 408 -37.307 29.600 -50.358 1.00 21.70 C ATOM 23 CD GLN A 408 -37.848 29.870 -48.982 1.00 23.28 C ATOM 24 OE1 GLN A 408 -38.377 28.969 -48.337 1.00 23.82 O ATOM 25 NE2 GLN A 408 -37.713 31.113 -48.512 1.00 22.72 N ATOM 26 HE22 GLN A 408 -37.258 31.843 -49.096 1.00 0.00 H ATOM 27 HE21 GLN A 408 -38.063 31.351 -47.562 1.00 0.00 H ATOM 28 H GLN A 408 -40.047 28.985 -53.360 1.00 0.00 H ATOM 29 N THR A 409 -38.748 32.551 -51.519 1.00 22.05 N ATOM 30 CA THR A 409 -37.979 33.738 -51.887 1.00 20.33 C ATOM 31 C THR A 409 -36.539 33.593 -51.427 1.00 21.15 C ATOM 32 O THR A 409 -36.294 33.216 -50.280 1.00 20.19 O ATOM 33 CB THR A 409 -38.523 34.995 -51.195 1.00 24.65 C ATOM 34 OG1 THR A 409 -39.906 35.145 -51.503 1.00 26.03 O ATOM 35 CG2 THR A 409 -37.763 36.235 -51.651 1.00 24.96 C ATOM 36 HG1 THR A 409 -40.256 35.956 -51.056 1.00 0.00 H ATOM 37 H THR A 409 -39.355 32.582 -50.675 1.00 0.00 H ATOM 38 N TRP A 410 -35.600 33.888 -52.327 1.00 19.75 N ATOM 39 CA TRP A 410 -34.180 33.977 -51.983 1.00 19.42 C ATOM 40 C TRP A 410 -33.678 35.376 -52.310 1.00 20.51 C ATOM 41 O TRP A 410 -34.092 35.969 -53.305 1.00 21.22 O ATOM 42 CB TRP A 410 -33.361 32.983 -52.811 1.00 18.48 C ATOM 43 CG TRP A 410 -33.737 31.538 -52.652 1.00 19.05 C ATOM 44 CD1 TRP A 410 -34.816 30.897 -53.208 1.00 17.04 C ATOM 45 CD2 TRP A 410 -32.998 30.540 -51.937 1.00 19.28 C ATOM 46 NE1 TRP A 410 -34.799 29.566 -52.854 1.00 20.70 N ATOM 47 CE2 TRP A 410 -33.702 29.324 -52.067 1.00 20.64 C ATOM 48 CE3 TRP A 410 -31.823 30.562 -51.177 1.00 19.92 C ATOM 49 CZ2 TRP A 410 -33.256 28.135 -51.476 1.00 24.15 C ATOM 50 CZ3 TRP A 410 -31.389 29.380 -50.581 1.00 20.43 C ATOM 51 CH2 TRP A 410 -32.104 28.186 -50.740 1.00 21.93 C ATOM 52 HE1 TRP A 410 -35.505 28.857 -53.138 1.00 0.00 H ATOM 53 H TRP A 410 -35.888 34.062 -53.311 1.00 0.00 H ATOM 54 N VAL A 411 -32.764 35.893 -51.496 1.00 19.68 N ATOM 55 CA VAL A 411 -32.107 37.145 -51.821 1.00 19.60 C ATOM 56 C VAL A 411 -30.599 36.909 -51.885 1.00 17.92 C ATOM 57 O VAL A 411 -30.058 36.065 -51.156 1.00 17.21 O ATOM 58 CB VAL A 411 -32.467 38.232 -50.800 1.00 19.13 C ATOM 59 CG1 VAL A 411 -31.985 37.833 -49.410 1.00 18.17 C ATOM 60 CG2 VAL A 411 -31.892 39.595 -51.225 1.00 19.65 C ATOM 61 H VAL A 411 -32.517 35.395 -50.617 1.00 0.00 H ATOM 62 N GLN A 412 -29.925 37.614 -52.789 1.00 18.30 N ATOM 63 CA GLN A 412 -28.482 37.444 -52.933 1.00 18.95 C ATOM 64 C GLN A 412 -27.719 38.482 -52.120 1.00 18.23 C ATOM 65 O GLN A 412 -28.004 39.684 -52.198 1.00 16.74 O ATOM 66 CB GLN A 412 -28.069 37.556 -54.398 1.00 19.84 C ATOM 67 CG GLN A 412 -26.596 37.259 -54.596 1.00 19.07 C ATOM 68 CD GLN A 412 -26.181 37.223 -56.048 1.00 20.60 C ATOM 69 OE1 GLN A 412 -26.527 38.114 -56.818 1.00 22.91 O ATOM 70 NE2 GLN A 412 -25.422 36.194 -56.429 1.00 20.89 N ATOM 71 HE22 GLN A 412 -25.154 35.462 -55.740 1.00 0.00 H ATOM 72 HE21 GLN A 412 -25.098 36.123 -57.415 1.00 0.00 H ATOM 73 H GLN A 412 -30.429 38.291 -53.397 1.00 0.00 H ATOM 74 N CYS A 413 -26.755 38.021 -51.332 1.00 17.95 N ATOM 75 CA CYS A 413 -25.913 38.931 -50.588 1.00 18.55 C ATOM 76 C CYS A 413 -25.000 39.670 -51.554 1.00 19.46 C ATOM 77 O CYS A 413 -24.331 39.054 -52.385 1.00 19.15 O ATOM 78 CB CYS A 413 -25.081 38.159 -49.558 1.00 18.74 C ATOM 79 SG CYS A 413 -23.880 39.180 -48.676 1.00 18.28 S ATOM 80 H CYS A 413 -26.604 36.995 -51.249 1.00 0.00 H ATOM 81 N ASP A 414 -24.967 40.993 -51.444 1.00 18.76 N ATOM 82 CA ASP A 414 -24.142 41.785 -52.345 1.00 20.69 C ATOM 83 C ASP A 414 -22.641 41.734 -52.021 1.00 22.47 C ATOM 84 O ASP A 414 -21.817 42.118 -52.850 1.00 25.02 O ATOM 85 CB ASP A 414 -24.679 43.219 -52.450 1.00 22.85 C ATOM 86 CG ASP A 414 -25.922 43.307 -53.329 1.00 24.28 C ATOM 87 OD1 ASP A 414 -25.797 43.089 -54.552 1.00 27.07 O ATOM 88 OD2 ASP A 414 -27.027 43.598 -52.821 1.00 25.13 O ATOM 89 H ASP A 414 -25.533 41.466 -50.711 1.00 0.00 H ATOM 90 N ALA A 415 -22.284 41.236 -50.839 1.00 20.24 N ATOM 91 CA ALA A 415 -20.868 41.053 -50.497 1.00 21.03 C ATOM 92 C ALA A 415 -20.316 39.687 -50.895 1.00 21.30 C ATOM 93 O ALA A 415 -19.251 39.610 -51.499 1.00 21.12 O ATOM 94 CB ALA A 415 -20.611 41.315 -49.001 1.00 22.90 C ATOM 95 H ALA A 415 -23.017 40.973 -50.150 1.00 0.00 H ATOM 96 N CYS A 416 -21.016 38.607 -50.551 1.00 18.70 N ATOM 97 CA CYS A 416 -20.460 37.266 -50.761 1.00 19.43 C ATOM 98 C CYS A 416 -21.114 36.492 -51.918 1.00 19.87 C ATOM 99 O CYS A 416 -20.624 35.433 -52.322 1.00 19.49 O ATOM 100 CB CYS A 416 -20.522 36.451 -49.458 1.00 20.39 C ATOM 101 SG CYS A 416 -22.178 35.812 -49.040 1.00 18.83 S ATOM 102 H CYS A 416 -21.961 38.715 -50.131 1.00 0.00 H ATOM 103 N LEU A 417 -22.214 37.035 -52.433 1.00 19.00 N ATOM 104 CA LEU A 417 -22.956 36.475 -53.571 1.00 18.90 C ATOM 105 C LEU A 417 -23.760 35.195 -53.302 1.00 19.97 C ATOM 106 O LEU A 417 -24.371 34.640 -54.214 1.00 18.90 O ATOM 107 CB LEU A 417 -22.057 36.317 -54.809 1.00 20.06 C ATOM 108 CG LEU A 417 -21.433 37.648 -55.250 1.00 20.62 C ATOM 109 CD1 LEU A 417 -20.439 37.470 -56.398 1.00 23.40 C ATOM 110 CD2 LEU A 417 -22.501 38.640 -55.638 1.00 21.47 C ATOM 111 H LEU A 417 -22.572 37.912 -52.003 1.00 0.00 H ATOM 112 N LYS A 418 -23.786 34.751 -52.052 1.00 18.12 N ATOM 113 CA LYS A 418 -24.611 33.610 -51.682 1.00 18.56 C ATOM 114 C LYS A 418 -26.077 33.989 -51.683 1.00 18.80 C ATOM 115 O LYS A 418 -26.417 35.141 -51.433 1.00 18.58 O ATOM 116 CB LYS A 418 -24.251 33.150 -50.277 1.00 18.79 C ATOM 117 CG LYS A 418 -22.863 32.556 -50.171 1.00 18.82 C ATOM 118 CD LYS A 418 -22.620 32.065 -48.752 1.00 18.85 C ATOM 119 CE LYS A 418 -21.237 31.486 -48.603 1.00 22.07 C ATOM 120 NZ LYS A 418 -20.233 32.566 -48.589 1.00 22.41 N ATOM 121 HZ1 LYS A 418 -20.286 33.099 -49.481 1.00 0.00 H ATOM 122 HZ2 LYS A 418 -20.424 33.205 -47.791 1.00 0.00 H ATOM 123 HZ3 LYS A 418 -19.284 32.154 -48.486 1.00 0.00 H ATOM 124 H LYS A 418 -23.210 35.224 -51.327 1.00 0.00 H ATOM 125 N TRP A 419 -26.945 33.013 -51.931 1.00 18.54 N ATOM 126 CA TRP A 419 -28.384 33.248 -51.874 1.00 18.35 C ATOM 127 C TRP A 419 -28.928 32.815 -50.512 1.00 16.80 C ATOM 128 O TRP A 419 -28.598 31.739 -50.036 1.00 19.21 O ATOM 129 CB TRP A 419 -29.093 32.480 -52.994 1.00 17.76 C ATOM 130 CG TRP A 419 -28.767 32.953 -54.359 1.00 19.59 C ATOM 131 CD1 TRP A 419 -27.751 32.510 -55.161 1.00 21.24 C ATOM 132 CD2 TRP A 419 -29.474 33.946 -55.123 1.00 18.80 C ATOM 133 NE1 TRP A 419 -27.775 33.181 -56.363 1.00 19.93 N ATOM 134 CE2 TRP A 419 -28.821 34.064 -56.358 1.00 20.35 C ATOM 135 CE3 TRP A 419 -30.588 34.754 -54.854 1.00 19.05 C ATOM 136 CZ2 TRP A 419 -29.257 34.957 -57.345 1.00 21.65 C ATOM 137 CZ3 TRP A 419 -31.009 35.642 -55.836 1.00 20.66 C ATOM 138 CH2 TRP A 419 -30.345 35.736 -57.057 1.00 20.98 C ATOM 139 HE1 TRP A 419 -27.107 33.040 -57.147 1.00 0.00 H ATOM 140 H TRP A 419 -26.592 32.064 -52.170 1.00 0.00 H ATOM 141 N ARG A 420 -29.757 33.659 -49.903 1.00 17.74 N ATOM 142 CA ARG A 420 -30.319 33.410 -48.572 1.00 18.15 C ATOM 143 C ARG A 420 -31.828 33.377 -48.649 1.00 19.13 C ATOM 144 O ARG A 420 -32.436 34.234 -49.301 1.00 18.89 O ATOM 145 CB ARG A 420 -29.956 34.551 -47.625 1.00 19.08 C ATOM 146 CG ARG A 420 -28.469 34.733 -47.369 1.00 16.41 C ATOM 147 CD ARG A 420 -27.786 33.411 -47.106 1.00 17.33 C ATOM 148 NE ARG A 420 -26.458 33.616 -46.518 1.00 17.92 N ATOM 149 CZ ARG A 420 -25.618 32.646 -46.186 1.00 17.96 C ATOM 150 NH1 ARG A 420 -25.937 31.366 -46.355 1.00 17.95 N ATOM 151 NH2 ARG A 420 -24.448 32.963 -45.672 1.00 18.07 N ATOM 152 HE ARG A 420 -26.153 34.596 -46.349 1.00 0.00 H ATOM 153 HH12 ARG A 420 -25.262 30.622 -46.087 1.00 0.00 H ATOM 154 HH11 ARG A 420 -26.862 31.109 -46.755 1.00 0.00 H ATOM 155 HH22 ARG A 420 -23.777 32.214 -45.406 1.00 0.00 H ATOM 156 HH21 ARG A 420 -24.195 33.962 -45.532 1.00 0.00 H ATOM 157 H ARG A 420 -30.019 34.537 -50.395 1.00 0.00 H ATOM 158 N LYS A 421 -32.442 32.409 -47.973 1.00 18.67 N ATOM 159 CA LYS A 421 -33.903 32.343 -47.913 1.00 19.23 C ATOM 160 C LYS A 421 -34.455 33.514 -47.110 1.00 19.28 C ATOM 161 O LYS A 421 -33.875 33.893 -46.074 1.00 19.78 O ATOM 162 CB LYS A 421 -34.356 31.029 -47.254 1.00 20.18 C ATOM 163 CG LYS A 421 -34.013 29.776 -48.037 1.00 20.67 C ATOM 164 CD LYS A 421 -34.723 28.559 -47.425 1.00 23.67 C ATOM 165 CE LYS A 421 -34.208 27.259 -48.023 1.00 25.57 C ATOM 166 NZ LYS A 421 -34.959 26.072 -47.526 1.00 28.02 N ATOM 167 HZ1 LYS A 421 -34.865 26.012 -46.492 1.00 0.00 H ATOM 168 HZ2 LYS A 421 -35.963 26.168 -47.779 1.00 0.00 H ATOM 169 HZ3 LYS A 421 -34.572 25.211 -47.962 1.00 0.00 H ATOM 170 H LYS A 421 -31.876 31.689 -47.480 1.00 0.00 H ATOM 171 N LEU A 422 -35.552 34.098 -47.589 1.00 20.10 N ATOM 172 CA LEU A 422 -36.305 35.085 -46.807 1.00 20.60 C ATOM 173 C LEU A 422 -37.708 34.572 -46.469 1.00 22.39 C ATOM 174 O LEU A 422 -38.264 33.730 -47.183 1.00 23.13 O ATOM 175 CB LEU A 422 -36.422 36.412 -47.560 1.00 21.36 C ATOM 176 CG LEU A 422 -35.151 37.225 -47.782 1.00 23.03 C ATOM 177 CD1 LEU A 422 -35.484 38.515 -48.499 1.00 24.33 C ATOM 178 CD2 LEU A 422 -34.467 37.506 -46.461 1.00 21.71 C ATOM 179 H LEU A 422 -35.884 33.848 -48.542 1.00 0.00 H ATOM 180 N PRO A 423 -38.294 35.085 -45.379 1.00 24.15 N ATOM 181 CA PRO A 423 -39.704 34.801 -45.085 1.00 24.08 C ATOM 182 C PRO A 423 -40.612 35.236 -46.237 1.00 22.77 C ATOM 183 O PRO A 423 -40.278 36.195 -46.946 1.00 24.84 O ATOM 184 CB PRO A 423 -39.983 35.676 -43.858 1.00 22.59 C ATOM 185 CG PRO A 423 -38.662 35.844 -43.203 1.00 22.75 C ATOM 186 CD PRO A 423 -37.659 35.891 -44.321 1.00 21.74 C ATOM 187 N ASP A 424 -41.730 34.536 -46.438 1.00 23.53 N ATOM 188 CA ASP A 424 -42.694 34.961 -47.453 1.00 24.33 C ATOM 189 C ASP A 424 -43.212 36.361 -47.151 1.00 24.80 C ATOM 190 O ASP A 424 -43.401 36.730 -45.982 1.00 24.20 O ATOM 191 CB ASP A 424 -43.890 34.012 -47.551 1.00 23.35 C ATOM 192 CG ASP A 424 -43.508 32.607 -47.942 1.00 26.00 C ATOM 193 OD1 ASP A 424 -42.377 32.381 -48.427 1.00 26.55 O ATOM 194 OD2 ASP A 424 -44.364 31.716 -47.762 1.00 24.94 O ATOM 195 H ASP A 424 -41.917 33.685 -45.871 1.00 0.00 H ATOM 196 N GLY A 425 -43.400 37.146 -48.212 1.00 24.52 N ATOM 197 CA GLY A 425 -44.042 38.441 -48.116 1.00 25.85 C ATOM 198 C GLY A 425 -43.163 39.631 -47.771 1.00 27.54 C ATOM 199 O GLY A 425 -43.687 40.705 -47.492 1.00 26.28 O ATOM 200 H GLY A 425 -43.074 36.817 -49.143 1.00 0.00 H ATOM 201 N MET A 426 -41.841 39.455 -47.762 1.00 29.07 N ATOM 202 CA MET A 426 -40.942 40.575 -47.472 1.00 28.72 C ATOM 203 C MET A 426 -40.755 41.476 -48.683 1.00 33.17 C ATOM 204 O MET A 426 -41.655 42.233 -49.041 1.00 34.69 O ATOM 205 CB MET A 426 -39.579 40.076 -47.003 1.00 30.17 C ATOM 206 CG MET A 426 -39.609 39.465 -45.645 1.00 28.43 C ATOM 207 SD MET A 426 -37.951 39.181 -45.018 1.00 26.99 S ATOM 208 CE MET A 426 -37.260 40.817 -45.062 1.00 28.77 C ATOM 209 H MET A 426 -41.445 38.515 -47.963 1.00 0.00 H TER 210 MET A 426 ATOM 211 N LEU A 429 -37.511 45.755 -49.525 1.00 31.83 N ATOM 212 CA LEU A 429 -36.107 45.416 -49.285 1.00 28.05 C ATOM 213 C LEU A 429 -35.199 46.517 -49.817 1.00 28.88 C ATOM 214 O LEU A 429 -35.549 47.199 -50.782 1.00 30.25 O ATOM 215 CB LEU A 429 -35.759 44.093 -49.972 1.00 28.99 C ATOM 216 CG LEU A 429 -36.395 42.834 -49.389 1.00 28.63 C ATOM 217 CD1 LEU A 429 -36.402 41.722 -50.418 1.00 29.15 C ATOM 218 CD2 LEU A 429 -35.653 42.409 -48.132 1.00 25.71 C ATOM 219 HN3 LEU A 429 -37.670 45.863 -50.547 1.00 0.00 H ATOM 220 HN2 LEU A 429 -37.739 46.647 -49.041 1.00 0.00 H ATOM 221 HN1 LEU A 429 -38.118 44.995 -49.157 1.00 0.00 H ATOM 222 N PRO A 430 -34.019 46.681 -49.201 1.00 29.60 N ATOM 223 CA PRO A 430 -33.067 47.710 -49.635 1.00 29.84 C ATOM 224 C PRO A 430 -32.493 47.411 -51.017 1.00 28.53 C ATOM 225 O PRO A 430 -32.460 46.246 -51.426 1.00 28.78 O ATOM 226 CB PRO A 430 -31.950 47.620 -48.591 1.00 28.58 C ATOM 227 CG PRO A 430 -32.490 46.783 -47.474 1.00 27.53 C ATOM 228 CD PRO A 430 -33.493 45.878 -48.085 1.00 26.69 C ATOM 229 N GLU A 431 -32.054 48.448 -51.727 1.00 29.40 N ATOM 230 CA GLU A 431 -31.363 48.268 -53.004 1.00 29.68 C ATOM 231 C GLU A 431 -30.238 47.237 -52.891 1.00 27.94 C ATOM 232 O GLU A 431 -30.122 46.327 -53.715 1.00 26.17 O ATOM 233 CB GLU A 431 -30.791 49.599 -53.503 1.00 31.35 C ATOM 234 CG GLU A 431 -29.811 49.445 -54.661 1.00 32.18 C ATOM 235 CD GLU A 431 -30.463 48.875 -55.909 1.00 33.98 C ATOM 236 OE1 GLU A 431 -31.567 49.335 -56.267 1.00 32.93 O ATOM 237 OE2 GLU A 431 -29.875 47.962 -56.530 1.00 33.78 O ATOM 238 H GLU A 431 -32.206 49.411 -51.365 1.00 0.00 H ATOM 239 N LYS A 432 -29.406 47.379 -51.867 1.00 27.08 N ATOM 240 CA LYS A 432 -28.352 46.405 -51.633 1.00 26.36 C ATOM 241 C LYS A 432 -28.647 45.644 -50.346 1.00 22.92 C ATOM 242 O LYS A 432 -29.079 46.239 -49.363 1.00 22.57 O ATOM 243 CB LYS A 432 -26.984 47.096 -51.561 1.00 27.28 C ATOM 244 CG LYS A 432 -26.581 47.756 -52.884 1.00 29.24 C ATOM 245 CD LYS A 432 -25.119 48.175 -52.887 1.00 32.97 C ATOM 246 CE LYS A 432 -24.544 48.166 -54.301 1.00 31.64 C ATOM 247 NZ LYS A 432 -24.337 49.525 -54.883 1.00 34.66 N ATOM 248 HZ1 LYS A 432 -25.248 50.025 -54.925 1.00 0.00 H ATOM 249 HZ2 LYS A 432 -23.674 50.059 -54.286 1.00 0.00 H ATOM 250 HZ3 LYS A 432 -23.945 49.434 -55.842 1.00 0.00 H ATOM 251 H LYS A 432 -29.509 48.193 -51.227 1.00 0.00 H ATOM 252 N TRP A 433 -28.393 44.338 -50.353 1.00 22.29 N ATOM 253 CA TRP A 433 -28.717 43.476 -49.214 1.00 19.40 C ATOM 254 C TRP A 433 -27.518 42.617 -48.853 1.00 18.99 C ATOM 255 O TRP A 433 -26.793 42.138 -49.730 1.00 18.28 O ATOM 256 CB TRP A 433 -29.909 42.583 -49.560 1.00 17.91 C ATOM 257 CG TRP A 433 -30.458 41.813 -48.415 1.00 17.77 C ATOM 258 CD1 TRP A 433 -31.512 42.169 -47.619 1.00 17.65 C ATOM 259 CD2 TRP A 433 -30.004 40.536 -47.933 1.00 17.33 C ATOM 260 NE1 TRP A 433 -31.733 41.197 -46.663 1.00 19.37 N ATOM 261 CE2 TRP A 433 -30.823 40.186 -46.837 1.00 18.80 C ATOM 262 CE3 TRP A 433 -28.971 39.667 -48.309 1.00 17.01 C ATOM 263 CZ2 TRP A 433 -30.647 39.003 -46.123 1.00 19.13 C ATOM 264 CZ3 TRP A 433 -28.800 38.491 -47.601 1.00 17.48 C ATOM 265 CH2 TRP A 433 -29.631 38.166 -46.524 1.00 18.51 C ATOM 266 HE1 TRP A 433 -32.470 41.227 -45.930 1.00 0.00 H ATOM 267 H TRP A 433 -27.950 43.916 -51.194 1.00 0.00 H ATOM 268 N TYR A 434 -27.301 42.422 -47.559 1.00 18.00 N ATOM 269 CA TYR A 434 -26.148 41.668 -47.104 1.00 18.48 C ATOM 270 C TYR A 434 -26.604 40.662 -46.083 1.00 17.65 C ATOM 271 O TYR A 434 -27.611 40.879 -45.392 1.00 18.44 O ATOM 272 CB TYR A 434 -25.116 42.598 -46.447 1.00 20.37 C ATOM 273 CG TYR A 434 -24.684 43.735 -47.339 1.00 19.70 C ATOM 274 CD1 TYR A 434 -23.695 43.538 -48.290 1.00 19.95 C ATOM 275 CD2 TYR A 434 -25.262 44.997 -47.229 1.00 19.87 C ATOM 276 CE1 TYR A 434 -23.284 44.565 -49.112 1.00 23.06 C ATOM 277 CE2 TYR A 434 -24.874 46.030 -48.067 1.00 21.95 C ATOM 278 CZ TYR A 434 -23.877 45.800 -49.001 1.00 24.66 C ATOM 279 OH TYR A 434 -23.458 46.801 -49.842 1.00 26.41 O ATOM 280 HH TYR A 434 -22.745 46.455 -50.436 1.00 0.00 H ATOM 281 H TYR A 434 -27.966 42.814 -46.862 1.00 0.00 H ATOM 282 N CYS A 435 -25.856 39.574 -45.964 1.00 17.49 N ATOM 283 CA CYS A 435 -26.130 38.560 -44.946 1.00 19.57 C ATOM 284 C CYS A 435 -26.391 39.156 -43.558 1.00 19.48 C ATOM 285 O CYS A 435 -27.236 38.658 -42.811 1.00 18.89 O ATOM 286 CB CYS A 435 -24.979 37.540 -44.886 1.00 19.89 C ATOM 287 SG CYS A 435 -24.850 36.481 -46.339 1.00 18.90 S ATOM 288 H CYS A 435 -25.053 39.438 -46.611 1.00 0.00 H ATOM 289 N SER A 436 -25.698 40.241 -43.223 1.00 20.36 N ATOM 290 CA SER A 436 -25.862 40.843 -41.906 1.00 21.37 C ATOM 291 C SER A 436 -27.284 41.359 -41.661 1.00 20.34 C ATOM 292 O SER A 436 -27.683 41.571 -40.513 1.00 22.91 O ATOM 293 CB SER A 436 -24.848 41.963 -41.705 1.00 22.46 C ATOM 294 OG SER A 436 -24.864 42.852 -42.806 1.00 23.56 O ATOM 295 HG SER A 436 -25.767 43.248 -42.896 1.00 0.00 H ATOM 296 H SER A 436 -25.035 40.662 -43.905 1.00 0.00 H ATOM 297 N ASN A 437 -28.049 41.556 -42.730 1.00 20.49 N ATOM 298 CA ASN A 437 -29.419 42.055 -42.595 1.00 22.08 C ATOM 299 C ASN A 437 -30.435 40.926 -42.452 1.00 20.33 C ATOM 300 O ASN A 437 -31.640 41.183 -42.342 1.00 21.60 O ATOM 301 CB ASN A 437 -29.780 42.897 -43.817 1.00 21.26 C ATOM 302 CG ASN A 437 -30.593 44.123 -43.459 1.00 22.35 C ATOM 303 OD1 ASN A 437 -31.272 44.167 -42.427 1.00 22.97 O ATOM 304 ND2 ASN A 437 -30.521 45.133 -44.311 1.00 22.17 N ATOM 305 HD22 ASN A 437 -29.936 45.050 -45.167 1.00 0.00 H ATOM 306 HD21 ASN A 437 -31.049 46.009 -44.125 1.00 0.00 H ATOM 307 H ASN A 437 -27.669 41.353 -43.676 1.00 0.00 H ATOM 308 N ASN A 438 -29.960 39.679 -42.452 1.00 20.61 N ATOM 309 CA ASN A 438 -30.858 38.523 -42.389 1.00 21.25 C ATOM 310 C ASN A 438 -31.685 38.475 -41.094 1.00 21.47 C ATOM 311 O ASN A 438 -31.126 38.488 -39.980 1.00 20.92 O ATOM 312 CB ASN A 438 -30.064 37.225 -42.553 1.00 21.17 C ATOM 313 CG ASN A 438 -30.912 36.072 -43.061 1.00 20.97 C ATOM 314 OD1 ASN A 438 -32.099 35.945 -42.720 1.00 21.24 O ATOM 315 ND2 ASN A 438 -30.302 35.207 -43.867 1.00 19.81 N ATOM 316 HD22 ASN A 438 -29.306 35.352 -44.127 1.00 0.00 H ATOM 317 HD21 ASN A 438 -30.822 34.386 -44.237 1.00 0.00 H ATOM 318 H ASN A 438 -28.933 39.525 -42.498 1.00 0.00 H ATOM 319 N PRO A 439 -33.018 38.406 -41.229 1.00 21.81 N ATOM 320 CA PRO A 439 -33.878 38.212 -40.054 1.00 23.06 C ATOM 321 C PRO A 439 -33.587 36.905 -39.310 1.00 24.02 C ATOM 322 O PRO A 439 -33.835 36.833 -38.107 1.00 24.52 O ATOM 323 CB PRO A 439 -35.300 38.199 -40.649 1.00 23.16 C ATOM 324 CG PRO A 439 -35.128 37.946 -42.091 1.00 23.72 C ATOM 325 CD PRO A 439 -33.802 38.516 -42.472 1.00 21.55 C ATOM 326 N ASP A 440 -33.056 35.897 -40.000 1.00 20.80 N ATOM 327 CA ASP A 440 -32.689 34.624 -39.362 1.00 21.62 C ATOM 328 C ASP A 440 -31.248 34.667 -38.836 1.00 21.65 C ATOM 329 O ASP A 440 -30.306 34.718 -39.627 1.00 19.83 O ATOM 330 CB ASP A 440 -32.802 33.495 -40.390 1.00 23.31 C ATOM 331 CG ASP A 440 -32.630 32.118 -39.780 1.00 23.69 C ATOM 332 OD1 ASP A 440 -32.077 31.988 -38.656 1.00 22.98 O ATOM 333 OD2 ASP A 440 -33.033 31.142 -40.448 1.00 24.58 O ATOM 334 H ASP A 440 -32.896 36.014 -41.021 1.00 0.00 H ATOM 335 N PRO A 441 -31.058 34.605 -37.504 1.00 21.73 N ATOM 336 CA PRO A 441 -29.677 34.718 -37.014 1.00 23.02 C ATOM 337 C PRO A 441 -28.750 33.592 -37.466 1.00 23.13 C ATOM 338 O PRO A 441 -27.533 33.732 -37.348 1.00 22.38 O ATOM 339 CB PRO A 441 -29.823 34.695 -35.478 1.00 24.08 C ATOM 340 CG PRO A 441 -31.191 34.101 -35.219 1.00 22.07 C ATOM 341 CD PRO A 441 -32.043 34.460 -36.421 1.00 21.90 C ATOM 342 N GLN A 442 -29.295 32.487 -37.962 1.00 23.20 N ATOM 343 CA GLN A 442 -28.436 31.399 -38.410 1.00 21.72 C ATOM 344 C GLN A 442 -27.706 31.730 -39.716 1.00 21.74 C ATOM 345 O GLN A 442 -26.663 31.148 -40.017 1.00 21.16 O ATOM 346 CB GLN A 442 -29.244 30.110 -38.576 1.00 23.57 C ATOM 347 CG GLN A 442 -29.903 29.593 -37.311 1.00 23.03 C ATOM 348 CD GLN A 442 -30.354 28.158 -37.477 1.00 27.01 C ATOM 349 OE1 GLN A 442 -29.863 27.443 -38.359 1.00 24.75 O ATOM 350 NE2 GLN A 442 -31.294 27.728 -36.647 1.00 27.85 N ATOM 351 HE22 GLN A 442 -31.677 28.366 -35.920 1.00 0.00 H ATOM 352 HE21 GLN A 442 -31.648 26.753 -36.722 1.00 0.00 H ATOM 353 H GLN A 442 -30.329 32.399 -38.030 1.00 0.00 H ATOM 354 N PHE A 443 -28.245 32.662 -40.495 1.00 21.61 N ATOM 355 CA PHE A 443 -27.671 32.934 -41.813 1.00 18.40 C ATOM 356 C PHE A 443 -27.357 34.408 -41.931 1.00 20.52 C ATOM 357 O PHE A 443 -27.661 35.041 -42.942 1.00 19.30 O ATOM 358 CB PHE A 443 -28.625 32.476 -42.929 1.00 21.30 C ATOM 359 CG PHE A 443 -28.885 30.997 -42.915 1.00 20.99 C ATOM 360 CD1 PHE A 443 -27.995 30.119 -43.509 1.00 20.13 C ATOM 361 CD2 PHE A 443 -30.000 30.480 -42.280 1.00 21.77 C ATOM 362 CE1 PHE A 443 -28.220 28.747 -43.484 1.00 18.68 C ATOM 363 CE2 PHE A 443 -30.235 29.108 -42.251 1.00 22.21 C ATOM 364 CZ PHE A 443 -29.341 28.243 -42.842 1.00 19.79 C ATOM 365 H PHE A 443 -29.074 33.198 -40.168 1.00 0.00 H ATOM 366 N ARG A 444 -26.731 34.938 -40.880 1.00 18.96 N ATOM 367 CA ARG A 444 -26.498 36.368 -40.749 1.00 20.73 C ATOM 368 C ARG A 444 -25.006 36.699 -40.900 1.00 23.02 C ATOM 369 O ARG A 444 -24.586 37.848 -40.771 1.00 23.93 O ATOM 370 CB ARG A 444 -27.089 36.854 -39.418 1.00 21.45 C ATOM 371 CG ARG A 444 -27.425 38.333 -39.338 1.00 21.74 C ATOM 372 CD ARG A 444 -27.962 38.685 -37.951 1.00 24.12 C ATOM 373 NE ARG A 444 -29.404 38.475 -37.856 1.00 24.24 N ATOM 374 CZ ARG A 444 -30.080 38.446 -36.710 1.00 23.30 C ATOM 375 NH1 ARG A 444 -29.438 38.621 -35.557 1.00 23.62 N ATOM 376 NH2 ARG A 444 -31.394 38.261 -36.718 1.00 23.53 N ATOM 377 HE ARG A 444 -29.936 38.340 -38.739 1.00 0.00 H ATOM 378 HH12 ARG A 444 -29.964 38.599 -34.660 1.00 0.00 H ATOM 379 HH11 ARG A 444 -28.410 38.780 -35.553 1.00 0.00 H ATOM 380 HH22 ARG A 444 -31.921 38.238 -35.822 1.00 0.00 H ATOM 381 HH21 ARG A 444 -31.896 38.139 -37.620 1.00 0.00 H ATOM 382 H ARG A 444 -26.397 34.305 -40.125 1.00 0.00 H ATOM 383 N ASN A 445 -24.215 35.680 -41.217 1.00 21.95 N ATOM 384 CA ASN A 445 -22.792 35.865 -41.468 1.00 20.65 C ATOM 385 C ASN A 445 -22.471 35.314 -42.856 1.00 20.65 C ATOM 386 O ASN A 445 -22.984 34.258 -43.228 1.00 20.17 O ATOM 387 CB ASN A 445 -21.978 35.134 -40.380 1.00 22.42 C ATOM 388 CG ASN A 445 -20.502 35.500 -40.386 1.00 22.45 C ATOM 389 OD1 ASN A 445 -19.825 35.436 -41.416 1.00 19.81 O ATOM 390 ND2 ASN A 445 -19.990 35.876 -39.218 1.00 23.28 N ATOM 391 HD22 ASN A 445 -20.596 35.916 -38.374 1.00 0.00 H ATOM 392 HD21 ASN A 445 -18.984 36.130 -39.149 1.00 0.00 H ATOM 393 H ASN A 445 -24.622 34.726 -41.288 1.00 0.00 H ATOM 394 N CYS A 446 -21.652 36.029 -43.630 1.00 20.32 N ATOM 395 CA CYS A 446 -21.293 35.586 -44.981 1.00 17.72 C ATOM 396 C CYS A 446 -20.586 34.236 -44.979 1.00 20.17 C ATOM 397 O CYS A 446 -20.554 33.556 -45.996 1.00 20.15 O ATOM 398 CB CYS A 446 -20.393 36.610 -45.675 1.00 19.41 C ATOM 399 SG CYS A 446 -21.237 38.116 -46.148 1.00 18.89 S ATOM 400 H CYS A 446 -21.259 36.921 -43.267 1.00 0.00 H ATOM 401 N GLU A 447 -20.000 33.866 -43.845 1.00 20.55 N ATOM 402 CA GLU A 447 -19.267 32.604 -43.732 1.00 20.60 C ATOM 403 C GLU A 447 -20.192 31.377 -43.745 1.00 21.18 C ATOM 404 O GLU A 447 -19.746 30.266 -44.049 1.00 20.44 O ATOM 405 CB GLU A 447 -18.412 32.607 -42.458 1.00 24.33 C ATOM 406 CG GLU A 447 -17.434 31.451 -42.337 1.00 23.34 C ATOM 407 CD GLU A 447 -16.592 31.301 -43.574 1.00 25.33 C ATOM 408 OE1 GLU A 447 -16.029 32.317 -44.040 1.00 25.44 O ATOM 409 OE2 GLU A 447 -16.517 30.180 -44.130 1.00 26.27 O ATOM 410 H GLU A 447 -20.064 34.490 -43.015 1.00 0.00 H ATOM 411 N VAL A 448 -21.474 31.556 -43.418 1.00 21.32 N ATOM 412 CA VAL A 448 -22.387 30.406 -43.387 1.00 19.27 C ATOM 413 C VAL A 448 -22.650 29.882 -44.800 1.00 19.92 C ATOM 414 O VAL A 448 -23.004 30.656 -45.687 1.00 18.26 O ATOM 415 CB VAL A 448 -23.733 30.753 -42.699 1.00 17.05 C ATOM 416 CG1 VAL A 448 -24.607 29.510 -42.608 1.00 18.52 C ATOM 417 CG2 VAL A 448 -23.468 31.333 -41.303 1.00 18.38 C ATOM 418 H VAL A 448 -21.825 32.507 -43.186 1.00 0.00 H ATOM 419 N PRO A 449 -22.486 28.567 -45.019 1.00 20.51 N ATOM 420 CA PRO A 449 -22.675 28.015 -46.368 1.00 18.87 C ATOM 421 C PRO A 449 -24.081 28.244 -46.918 1.00 19.98 C ATOM 422 O PRO A 449 -25.037 28.274 -46.140 1.00 20.01 O ATOM 423 CB PRO A 449 -22.458 26.510 -46.154 1.00 21.04 C ATOM 424 CG PRO A 449 -21.516 26.444 -44.994 1.00 19.31 C ATOM 425 CD PRO A 449 -21.927 27.567 -44.086 1.00 20.13 C ATOM 426 N GLU A 450 -24.211 28.358 -48.241 1.00 19.74 N ATOM 427 CA GLU A 450 -25.512 28.602 -48.857 1.00 20.97 C ATOM 428 C GLU A 450 -26.372 27.347 -48.707 1.00 20.03 C ATOM 429 O GLU A 450 -25.886 26.242 -48.921 1.00 20.28 O ATOM 430 CB GLU A 450 -25.346 28.964 -50.341 1.00 21.46 C ATOM 431 CG GLU A 450 -26.676 29.192 -51.085 1.00 20.77 C ATOM 432 CD GLU A 450 -26.494 29.613 -52.525 1.00 22.87 C ATOM 433 OE1 GLU A 450 -25.634 30.472 -52.779 1.00 22.40 O ATOM 434 OE2 GLU A 450 -27.217 29.096 -53.407 1.00 22.94 O ATOM 435 H GLU A 450 -23.369 28.271 -48.845 1.00 0.00 H ATOM 436 N GLU A 451 -27.631 27.528 -48.306 1.00 21.69 N ATOM 437 CA GLU A 451 -28.593 26.431 -48.225 1.00 20.55 C ATOM 438 C GLU A 451 -28.915 25.912 -49.615 1.00 23.46 C ATOM 439 O GLU A 451 -28.992 26.685 -50.574 1.00 23.81 O ATOM 440 CB GLU A 451 -29.908 26.901 -47.595 1.00 22.57 C ATOM 441 CG GLU A 451 -29.833 27.186 -46.121 1.00 22.40 C ATOM 442 CD GLU A 451 -31.202 27.292 -45.490 1.00 22.26 C ATOM 443 OE1 GLU A 451 -31.779 28.396 -45.498 1.00 20.15 O ATOM 444 OE2 GLU A 451 -31.697 26.275 -44.969 1.00 22.58 O ATOM 445 H GLU A 451 -27.940 28.485 -48.041 1.00 0.00 H ATOM 446 N PRO A 452 -29.132 24.598 -49.730 1.00 23.02 N ATOM 447 CA PRO A 452 -29.544 24.060 -51.026 1.00 27.30 C ATOM 448 C PRO A 452 -31.014 24.377 -51.320 1.00 26.03 C ATOM 449 O PRO A 452 -31.788 24.691 -50.412 1.00 26.06 O ATOM 450 CB PRO A 452 -29.353 22.545 -50.861 1.00 27.34 C ATOM 451 CG PRO A 452 -28.761 22.338 -49.485 1.00 29.31 C ATOM 452 CD PRO A 452 -29.059 23.561 -48.692 1.00 26.11 C ATOM 453 N GLU A 453 -31.379 24.305 -52.596 1.00 27.46 N ATOM 454 CA GLU A 453 -32.756 24.483 -53.037 1.00 28.30 C ATOM 455 C GLU A 453 -33.561 23.221 -52.735 1.00 32.66 C ATOM 456 O GLU A 453 -33.003 22.212 -52.283 1.00 32.51 O ATOM 457 CB GLU A 453 -32.776 24.788 -54.541 1.00 30.33 C ATOM 458 CG GLU A 453 -34.097 25.298 -55.088 1.00 28.54 C ATOM 459 CD GLU A 453 -34.045 25.540 -56.588 1.00 28.36 C ATOM 460 OE1 GLU A 453 -33.046 26.119 -57.072 1.00 26.21 O ATOM 461 OE2 GLU A 453 -35.002 25.145 -57.290 1.00 29.38 O ATOM 462 H GLU A 453 -30.649 24.113 -53.311 1.00 0.00 H TER 463 GLU A 453 HETATM 464 ZN ZN A 1 -22.996 37.386 -47.486 1.00 17.87 ZN HETATM 465 O HOH 2 -28.262 47.396 -47.358 1.00 35.99 O HETATM 466 O HOH 3 -26.382 44.501 -43.808 1.00 26.89 O HETATM 467 O HOH 4 -32.271 26.126 -42.555 1.00 37.03 O HETATM 468 O HOH 5 -33.181 28.696 -39.913 1.00 34.41 O HETATM 469 O HOH 6 -33.683 28.654 -43.862 1.00 27.59 O HETATM 470 O HOH 7 -37.406 24.631 -56.592 1.00 36.37 O HETATM 471 O HOH 8 -18.623 29.521 -46.254 1.00 30.93 O HETATM 472 O HOH 9 -40.025 33.201 -49.171 1.00 26.12 O HETATM 473 O HOH 10 -30.725 30.683 -46.261 1.00 19.60 O HETATM 474 O HOH 11 -19.418 33.369 -50.961 1.00 25.06 O HETATM 475 O HOH 12 -40.128 37.318 -49.337 1.00 29.76 O HETATM 476 O HOH 13 -33.543 31.277 -43.041 1.00 27.10 O HETATM 477 O HOH 14 -29.236 41.670 -53.477 1.00 27.17 O HETATM 478 O HOH 15 -34.508 35.068 -43.553 1.00 26.17 O HETATM 479 O HOH 16 -26.724 28.901 -56.061 1.00 31.66 O HETATM 480 O HOH 17 -33.292 23.827 -48.334 1.00 34.88 O HETATM 481 O HOH 18 -25.354 23.833 -47.758 1.00 28.82 O HETATM 482 O HOH 19 -33.519 41.669 -44.276 1.00 26.50 O HETATM 483 O HOH 20 -28.417 30.286 -47.719 1.00 18.62 O HETATM 484 O HOH 21 -31.744 32.802 -44.737 1.00 20.41 O HETATM 485 O HOH 22 -35.425 38.437 -36.551 1.00 36.62 O HETATM 486 O HOH 23 -37.269 26.182 -49.038 1.00 33.67 O HETATM 487 O HOH 24 -41.054 37.639 -51.160 1.00 36.18 O HETATM 488 O HOH 25 -27.882 44.690 -55.433 1.00 32.69 O HETATM 489 O HOH 26 -32.015 51.033 -50.649 1.00 36.40 O HETATM 490 O HOH 27 -26.064 35.421 -35.655 1.00 37.33 O HETATM 491 O HOH 28 -18.130 36.386 -53.195 1.00 33.34 O HETATM 492 O HOH 29 -24.703 49.325 -49.579 1.00 38.52 O HETATM 493 O HOH 30 -24.190 32.015 -55.258 1.00 26.05 O HETATM 494 O HOH 31 -22.012 28.069 -50.001 1.00 28.83 O HETATM 495 O HOH 32 -29.296 49.831 -50.446 1.00 32.64 O HETATM 496 O HOH 33 -29.086 24.716 -38.432 1.00 24.42 O HETATM 497 O HOH 34 -40.285 45.238 -49.105 1.00 40.88 O HETATM 498 O HOH 35 -25.934 24.863 -51.448 1.00 37.64 O HETATM 499 O HOH 36 -33.430 41.526 -40.084 1.00 32.69 O HETATM 500 O HOH 37 -25.641 31.862 -57.835 1.00 24.88 O HETATM 501 O HOH 38 -26.822 40.993 -56.321 1.00 30.87 O HETATM 502 O HOH 39 -24.875 33.943 -38.574 1.00 28.87 O HETATM 503 O HOH 40 -20.958 38.598 -42.305 1.00 29.43 O HETATM 504 O HOH 41 -24.649 39.719 -58.472 1.00 32.78 O HETATM 505 O HOH 42 -20.315 44.637 -52.262 1.00 37.88 O HETATM 506 O HOH 43 -42.940 36.225 -51.026 1.00 31.07 O HETATM 507 O HOH 44 -41.524 39.748 -50.830 1.00 41.63 O HETATM 508 O HOH 45 -44.119 43.728 -47.781 1.00 39.75 O HETATM 509 O HOH 46 -37.528 30.766 -45.461 1.00 33.25 O HETATM 510 O HOH 47 -34.960 48.329 -53.617 1.00 38.22 O HETATM 511 O HOH 48 -21.772 46.039 -52.557 1.00 38.62 O HETATM 512 O HOH 49 -39.363 30.979 -45.650 1.00 35.61 O HETATM 513 O HOH 50 -32.216 26.394 -40.483 1.00 37.47 O HETATM 514 O HOH 51 -21.874 39.904 -40.155 1.00 37.16 O HETATM 515 O HOH 52 -22.856 25.169 -50.477 1.00 38.14 O HETATM 516 O HOH 53 -35.953 32.624 -43.450 1.00 34.14 O HETATM 517 O HOH 54 -21.703 50.109 -51.080 1.00 46.19 O HETATM 518 O HOH 55 -39.704 39.474 -51.379 1.00 39.31 O HETATM 519 O HOH 56 -34.302 41.337 -37.775 1.00 36.21 O HETATM 520 O HOH 57 -27.042 51.341 -51.261 1.00 37.01 O HETATM 521 O HOH 58 -27.249 23.355 -54.909 1.00 36.46 O HETATM 522 O HOH 59 -41.081 30.005 -47.578 1.00 35.85 O HETATM 523 O HOH 60 -41.421 21.966 -56.235 1.00 41.83 O HETATM 524 O HOH 61 -38.158 37.741 -56.641 1.00 29.19 O HETATM 525 O HOH 62 -37.463 25.665 -53.266 1.00 32.51 O HETATM 526 O HOH 63 -36.742 42.212 -55.440 1.00 38.45 O HETATM 527 O HOH 64 -30.969 37.039 -63.092 1.00 32.78 O HETATM 528 O HOH 65 -35.473 36.467 -61.970 1.00 34.89 O HETATM 529 O HOH 66 -40.503 37.876 -53.408 1.00 38.44 O HETATM 530 O HOH 67 -46.403 27.842 -48.599 1.00 31.65 O HETATM 531 O HOH 68 -33.497 38.240 -60.258 1.00 33.29 O HETATM 532 O HOH 69 -34.601 41.293 -58.133 1.00 35.62 O HETATM 533 O HOH 70 -36.723 37.257 -60.123 1.00 37.32 O HETATM 534 O HOH 71 -35.928 25.670 -51.403 1.00 35.24 O HETATM 535 O HOH 72 -41.695 39.506 -55.580 1.00 44.34 O HETATM 536 O HOH 73 -45.396 20.703 -50.969 1.00 49.00 O HETATM 537 N ALA A 74 -32.888 45.021 -53.834 1.00 0.24 N HETATM 538 CA ALA A 74 -32.171 43.766 -53.626 1.00 0.06 C HETATM 539 C ALA A 74 -32.452 42.834 -54.789 1.00 0.23 C HETATM 540 O ALA A 74 -33.476 42.959 -55.451 1.00 -0.39 O HETATM 541 N ALA A 74 -31.547 41.895 -55.031 1.00 -0.26 N HETATM 542 CA ALA A 74 -31.749 40.918 -56.084 1.00 0.13 C HETATM 543 C ALA A 74 -32.435 39.702 -55.493 1.00 0.20 C HETATM 544 O ALA A 74 -31.872 39.036 -54.626 1.00 -0.39 O HETATM 545 N ALA A 74 -33.652 39.413 -55.949 1.00 -0.26 N HETATM 546 CA ALA A 74 -34.382 38.261 -55.428 1.00 0.16 C HETATM 547 C ALA A 74 -34.796 37.287 -56.531 1.00 0.21 C HETATM 548 O ALA A 74 -34.905 37.662 -57.706 1.00 -0.39 O HETATM 549 N ALA A 74 -34.993 36.032 -56.138 1.00 -0.26 N HETATM 550 CA ALA A 74 -35.515 34.993 -57.017 1.00 0.13 C HETATM 551 C ALA A 74 -36.397 34.043 -56.223 1.00 0.20 C HETATM 552 O ALA A 74 -36.162 33.792 -55.038 1.00 -0.39 O HETATM 553 N ALA A 74 -37.435 33.529 -56.873 1.00 -0.26 N HETATM 554 CA ALA A 74 -38.316 32.561 -56.240 1.00 0.13 C HETATM 555 C ALA A 74 -38.037 31.166 -56.782 1.00 0.20 C HETATM 556 O ALA A 74 -37.871 30.990 -57.987 1.00 -0.39 O HETATM 557 N ALA A 74 -37.989 30.176 -55.899 1.00 -0.26 N HETATM 558 CA ALA A 74 -37.874 28.782 -56.325 1.00 0.16 C HETATM 559 C ALA A 74 -39.123 28.049 -55.869 1.00 0.21 C HETATM 560 O ALA A 74 -39.762 28.449 -54.900 1.00 -0.39 O HETATM 561 N ALA A 74 -39.497 26.980 -56.561 1.00 -0.26 N HETATM 562 CA ALA A 74 -40.753 26.330 -56.209 1.00 0.13 C HETATM 563 C ALA A 74 -40.535 25.279 -55.140 1.00 0.20 C HETATM 564 O ALA A 74 -40.337 24.102 -55.440 1.00 -0.39 O HETATM 565 N ALA A 74 -40.565 25.725 -53.891 1.00 -0.27 N HETATM 566 CA ALA A 74 -40.400 24.858 -52.740 1.00 0.09 C HETATM 567 C ALA A 74 -41.617 23.960 -52.566 1.00 0.06 C HETATM 568 O ALA A 74 -41.659 22.846 -53.085 1.00 -0.57 O HETATM 569 OXT ALA A 74 -42.584 24.329 -51.903 1.00 -0.57 O HETATM 570 CB ALA A 74 -40.226 25.714 -51.488 1.00 -0.01 C HETATM 571 CG ALA A 74 -41.492 26.512 -51.154 1.00 -0.02 C HETATM 572 CD ALA A 74 -41.423 27.330 -49.854 1.00 0.06 C HETATM 573 NE ALA A 74 -42.738 27.896 -49.571 1.00 -0.27 N HETATM 574 CZ ALA A 74 -43.007 29.201 -49.567 1.00 0.29 C HETATM 575 NH1 ALA A 74 -42.036 30.086 -49.778 1.00 -0.28 N HETATM 576 H70 ALA A 74 -42.248 31.094 -49.774 1.00 0.26 H HETATM 577 H71 ALA A 74 -41.072 29.763 -49.945 1.00 0.26 H HETATM 578 NH2 ALA A 74 -44.240 29.636 -49.318 1.00 -0.28 N HETATM 579 H72 ALA A 74 -45.001 28.961 -49.153 1.00 0.26 H HETATM 580 H73 ALA A 74 -44.434 30.647 -49.290 1.00 0.26 H HETATM 581 H69 ALA A 74 -43.508 27.245 -49.361 1.00 0.26 H HETATM 582 H67 ALA A 74 -40.690 28.142 -49.969 1.00 0.07 H HETATM 583 H68 ALA A 74 -41.118 26.676 -49.024 1.00 0.07 H HETATM 584 H65 ALA A 74 -42.329 25.803 -51.067 1.00 0.03 H HETATM 585 H66 ALA A 74 -41.686 27.207 -51.984 1.00 0.03 H HETATM 586 H63 ALA A 74 -39.396 26.417 -51.652 1.00 0.03 H HETATM 587 H64 ALA A 74 -39.987 25.056 -50.639 1.00 0.03 H HETATM 588 H62 ALA A 74 -39.507 24.233 -52.884 1.00 0.07 H HETATM 589 H61 ALA A 74 -40.708 26.703 -53.736 1.00 0.19 H HETATM 590 CB ALA A 74 -41.426 25.739 -57.422 1.00 -0.02 C HETATM 591 H58 ALA A 74 -42.368 25.258 -57.121 1.00 0.03 H HETATM 592 H59 ALA A 74 -40.763 24.991 -57.881 1.00 0.03 H HETATM 593 H60 ALA A 74 -41.638 26.537 -58.149 1.00 0.03 H HETATM 594 H57 ALA A 74 -41.423 27.097 -55.795 1.00 0.08 H HETATM 595 H56 ALA A 74 -38.930 26.629 -57.306 1.00 0.19 H HETATM 596 CB ALA A 74 -36.622 28.078 -55.747 1.00 0.09 C HETATM 597 OG1 ALA A 74 -36.703 28.044 -54.312 1.00 -0.39 O HETATM 598 H52 ALA A 74 -37.482 27.566 -54.051 1.00 0.21 H HETATM 599 CG2 ALA A 74 -35.332 28.789 -56.192 1.00 -0.03 C HETATM 600 H53 ALA A 74 -34.461 28.268 -55.767 1.00 0.03 H HETATM 601 H54 ALA A 74 -35.346 29.830 -55.837 1.00 0.03 H HETATM 602 H55 ALA A 74 -35.267 28.777 -57.290 1.00 0.03 H HETATM 603 H51 ALA A 74 -36.597 27.045 -56.123 1.00 0.06 H HETATM 604 H50 ALA A 74 -37.813 28.752 -57.423 1.00 0.08 H HETATM 605 H49 ALA A 74 -38.032 30.388 -54.923 1.00 0.19 H HETATM 606 CB ALA A 74 -39.774 32.907 -56.543 1.00 0.00 C HETATM 607 CG ALA A 74 -40.143 34.368 -56.290 1.00 0.04 C HETATM 608 CD ALA A 74 -39.902 34.774 -54.862 1.00 0.17 C HETATM 609 OE1 ALA A 74 -39.083 35.653 -54.589 1.00 -0.40 O HETATM 610 NE2 ALA A 74 -40.610 34.133 -53.935 1.00 -0.30 N HETATM 611 H47 ALA A 74 -40.491 34.361 -52.969 1.00 0.18 H HETATM 612 H48 ALA A 74 -41.261 33.423 -54.205 1.00 0.18 H HETATM 613 H45 ALA A 74 -41.208 34.510 -56.524 1.00 0.05 H HETATM 614 H46 ALA A 74 -39.535 35.006 -56.948 1.00 0.05 H HETATM 615 H43 ALA A 74 -40.416 32.276 -55.911 1.00 0.03 H HETATM 616 H44 ALA A 74 -39.968 32.682 -57.602 1.00 0.03 H HETATM 617 H42 ALA A 74 -38.150 32.575 -55.153 1.00 0.08 H HETATM 618 H41 ALA A 74 -37.614 33.813 -57.815 1.00 0.19 H HETATM 619 CB ALA A 74 -34.380 34.214 -57.696 1.00 -0.01 C HETATM 620 CG ALA A 74 -33.709 34.948 -58.862 1.00 -0.04 C HETATM 621 CD ALA A 74 -32.700 34.054 -59.583 1.00 -0.01 C HETATM 622 CE ALA A 74 -31.930 34.832 -60.654 1.00 -0.04 C HETATM 623 NZ ALA A 74 -32.828 35.376 -61.714 1.00 0.22 N HETATM 624 H38 ALA A 74 -32.279 35.878 -62.394 1.00 0.20 H HETATM 625 H39 ALA A 74 -33.500 36.001 -61.297 1.00 0.20 H HETATM 626 H40 ALA A 74 -33.312 34.617 -62.167 1.00 0.20 H HETATM 627 H36 ALA A 74 -31.197 34.158 -61.123 1.00 0.08 H HETATM 628 H37 ALA A 74 -31.403 35.669 -60.173 1.00 0.08 H HETATM 629 H34 ALA A 74 -33.237 33.222 -60.062 1.00 0.03 H HETATM 630 H35 ALA A 74 -31.986 33.655 -58.848 1.00 0.03 H HETATM 631 H32 ALA A 74 -33.187 35.834 -58.473 1.00 0.03 H HETATM 632 H33 ALA A 74 -34.482 35.263 -59.578 1.00 0.03 H HETATM 633 H30 ALA A 74 -34.794 33.269 -58.078 1.00 0.03 H HETATM 634 H31 ALA A 74 -33.612 33.998 -56.939 1.00 0.03 H HETATM 635 H29 ALA A 74 -36.124 35.471 -57.798 1.00 0.08 H HETATM 636 H28 ALA A 74 -34.772 35.789 -55.193 1.00 0.19 H HETATM 637 CB ALA A 74 -35.626 38.692 -54.628 1.00 0.09 C HETATM 638 OG1 ALA A 74 -36.505 39.451 -55.475 1.00 -0.39 O HETATM 639 H24 ALA A 74 -36.773 38.915 -56.212 1.00 0.21 H HETATM 640 CG2 ALA A 74 -35.226 39.540 -53.398 1.00 -0.03 C HETATM 641 H25 ALA A 74 -36.131 39.834 -52.846 1.00 0.03 H HETATM 642 H26 ALA A 74 -34.691 40.441 -53.732 1.00 0.03 H HETATM 643 H27 ALA A 74 -34.572 38.948 -52.741 1.00 0.03 H HETATM 644 H23 ALA A 74 -36.153 37.791 -54.280 1.00 0.06 H HETATM 645 H22 ALA A 74 -33.707 37.726 -54.743 1.00 0.08 H HETATM 646 H21 ALA A 74 -34.069 39.989 -56.653 1.00 0.19 H HETATM 647 CB ALA A 74 -30.413 40.518 -56.702 1.00 -0.01 C HETATM 648 CG ALA A 74 -30.568 39.561 -57.854 1.00 -0.02 C HETATM 649 CD ALA A 74 -29.254 38.940 -58.247 1.00 0.06 C HETATM 650 NE ALA A 74 -29.366 38.322 -59.558 1.00 -0.27 N HETATM 651 CZ ALA A 74 -28.408 37.614 -60.139 1.00 0.29 C HETATM 652 NH1 ALA A 74 -27.245 37.417 -59.525 1.00 -0.28 N HETATM 653 H17 ALA A 74 -26.507 36.865 -59.985 1.00 0.26 H HETATM 654 H18 ALA A 74 -27.082 37.816 -58.590 1.00 0.26 H HETATM 655 NH2 ALA A 74 -28.620 37.108 -61.342 1.00 -0.28 N HETATM 656 H19 ALA A 74 -29.522 37.263 -61.814 1.00 0.26 H HETATM 657 H20 ALA A 74 -27.883 36.559 -61.807 1.00 0.26 H HETATM 658 H16 ALA A 74 -30.251 38.443 -60.071 1.00 0.26 H HETATM 659 H14 ALA A 74 -28.977 38.175 -57.507 1.00 0.07 H HETATM 660 H15 ALA A 74 -28.478 39.719 -58.277 1.00 0.07 H HETATM 661 H12 ALA A 74 -30.976 40.107 -58.718 1.00 0.03 H HETATM 662 H13 ALA A 74 -31.266 38.762 -57.562 1.00 0.03 H HETATM 663 H10 ALA A 74 -29.796 40.039 -55.927 1.00 0.03 H HETATM 664 H11 ALA A 74 -29.907 41.425 -57.064 1.00 0.03 H HETATM 665 H9 ALA A 74 -32.389 41.353 -56.866 1.00 0.08 H HETATM 666 H8 ALA A 74 -30.713 41.860 -54.480 1.00 0.19 H HETATM 667 CB ALA A 74 -32.604 43.117 -52.321 1.00 -0.00 C HETATM 668 H5 ALA A 74 -32.055 42.174 -52.181 1.00 0.03 H HETATM 669 H6 ALA A 74 -33.684 42.911 -52.355 1.00 0.03 H HETATM 670 H7 ALA A 74 -32.386 43.796 -51.484 1.00 0.03 H HETATM 671 H4 ALA A 74 -31.091 43.972 -53.581 1.00 0.11 H HETATM 672 H1 ALA A 74 -32.705 45.644 -53.063 1.00 0.20 H HETATM 673 H2 ALA A 74 -33.878 44.837 -53.889 1.00 0.20 H HETATM 674 H3 ALA A 74 -32.577 45.447 -54.693 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 79 78 464 CONECT 101 100 464 CONECT 211 212 219 220 221 CONECT 219 211 CONECT 220 211 CONECT 221 211 CONECT 287 286 464 CONECT 399 398 464 CONECT 464 79 101 287 399 CONECT 537 538 672 673 674 CONECT 538 537 539 667 671 CONECT 539 538 540 541 CONECT 540 539 CONECT 541 539 542 666 CONECT 542 541 543 647 665 CONECT 543 542 544 545 CONECT 544 543 CONECT 545 543 546 646 CONECT 546 545 547 637 645 CONECT 547 546 548 549 CONECT 548 547 CONECT 549 547 550 636 CONECT 550 549 551 619 635 CONECT 551 550 552 553 CONECT 552 551 CONECT 553 551 554 618 CONECT 554 553 555 606 617 CONECT 555 554 556 557 CONECT 556 555 CONECT 557 555 558 605 CONECT 558 557 559 596 604 CONECT 559 558 560 561 CONECT 560 559 CONECT 561 559 562 595 CONECT 562 561 563 590 594 CONECT 563 562 564 565 CONECT 564 563 CONECT 565 563 566 589 CONECT 566 565 567 570 588 CONECT 567 566 568 569 CONECT 568 567 CONECT 569 567 CONECT 570 566 571 586 587 CONECT 571 570 572 584 585 CONECT 572 571 573 582 583 CONECT 573 572 574 581 CONECT 574 573 575 578 CONECT 575 574 576 577 CONECT 576 575 CONECT 577 575 CONECT 578 574 579 580 CONECT 579 578 CONECT 580 578 CONECT 581 573 CONECT 582 572 CONECT 583 572 CONECT 584 571 CONECT 585 571 CONECT 586 570 CONECT 587 570 CONECT 588 566 CONECT 589 565 CONECT 590 562 591 592 593 CONECT 591 590 CONECT 592 590 CONECT 593 590 CONECT 594 562 CONECT 595 561 CONECT 596 558 597 599 603 CONECT 597 596 598 CONECT 598 597 CONECT 599 596 600 601 602 CONECT 600 599 CONECT 601 599 CONECT 602 599 CONECT 603 596 CONECT 604 558 CONECT 605 557 CONECT 606 554 607 615 616 CONECT 607 606 608 613 614 CONECT 608 607 609 610 CONECT 609 608 CONECT 610 608 611 612 CONECT 611 610 CONECT 612 610 CONECT 613 607 CONECT 614 607 CONECT 615 606 CONECT 616 606 CONECT 617 554 CONECT 618 553 CONECT 619 550 620 633 634 CONECT 620 619 621 631 632 CONECT 621 620 622 629 630 CONECT 622 621 623 627 628 CONECT 623 622 624 625 626 CONECT 624 623 CONECT 625 623 CONECT 626 623 CONECT 627 622 CONECT 628 622 CONECT 629 621 CONECT 630 621 CONECT 631 620 CONECT 632 620 CONECT 633 619 CONECT 634 619 CONECT 635 550 CONECT 636 549 CONECT 637 546 638 640 644 CONECT 638 637 639 CONECT 639 638 CONECT 640 637 641 642 643 CONECT 641 640 CONECT 642 640 CONECT 643 640 CONECT 644 637 CONECT 645 546 CONECT 646 545 CONECT 647 542 648 663 664 CONECT 648 647 649 661 662 CONECT 649 648 650 659 660 CONECT 650 649 651 658 CONECT 651 650 652 655 CONECT 652 651 653 654 CONECT 653 652 CONECT 654 652 CONECT 655 651 656 657 CONECT 656 655 CONECT 657 655 CONECT 658 650 CONECT 659 649 CONECT 660 649 CONECT 661 648 CONECT 662 648 CONECT 663 647 CONECT 664 647 CONECT 665 542 CONECT 666 541 CONECT 667 538 668 669 670 CONECT 668 667 CONECT 669 667 CONECT 670 667 CONECT 671 538 CONECT 672 537 CONECT 673 537 CONECT 674 537 MASTER 0 0 0 0 0 0 0 0 672 2 151 4 END
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8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
5svi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
MORC family CW-type zinc finger protein 3, MORC3 CW domain
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
1.61(Å)
Affinity (Kd/Ki/IC50)
Kd=6.8uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cell Rep Vol. 16: pp. 3195-3207
Ligand Properties
Formula
C
3
7
H
7
4
N
1
6
O
1
2
Molecular Weight
935.083
Exact Mass
934.567
No. of atoms
139
No. of bonds
138
Polar Surface Area
511.85
LOGP Value
-4.71 (
Computed with XLOGP3
)
-6.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 40
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C37H70N16O12/c1-17(39)28(57)48-22(10-7-15-45-36(41)42)31(60)53-27(20(4)55)34(63)50-21(9-5-6-14-38)30(59)49-23(12-13-25(40)56)32(61)52-26(19(3)54)33(62)47-18(2)29(58)51-24(35(64)65)11-8-16-46-37(43)44/h17-24,26-27,54-55H,5-16,38-39H2,1-4H3,(H2,40,56)(H,47,62)(H,48,57)(H,49,59)(H,50,63)(H,51,58)(H,52,61)(H,53,60)(H,64,65)(H4,41,42,45)(H4,43,44,46)/p+4/t17-,18-,19+,20+,21-,22-,23-,24-,26-,27-/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):
Q14149
Entrez Gene ID
NCBI Entrez Gene ID:
23515
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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