Browse entries in the PDBbind-CN Database
HEADER 6D08_COMPLEX COMPND 6D08_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 54 GLY GLU PHE VAL VAL GLU LYS VAL LEU ASP ARG ARG VAL SEQRES 2 A 54 VAL LYS GLY LYS VAL GLU TYR LEU LEU LYS TRP LYS GLY SEQRES 3 A 54 GLY SER ASP GLU ASP ASN THR TRP GLU PRO GLU GLU ASN SEQRES 4 A 54 LEU ASP CYS PRO ASP LEU ILE ALA GLU PHE LEU GLN SER SEQRES 5 A 54 GLN LYS HET THR A 72 146 ATOM 1 N GLY A 1 -4.632 -16.500 -2.852 1.00 42.93 N ATOM 2 CA GLY A 1 -5.652 -17.513 -2.646 1.00 44.47 C ATOM 3 C GLY A 1 -5.078 -18.862 -2.265 1.00 36.74 C ATOM 4 O GLY A 1 -3.862 -19.005 -2.132 1.00 37.22 O ATOM 5 HN3 GLY A 1 -3.996 -16.801 -3.618 1.00 0.00 H ATOM 6 HN2 GLY A 1 -4.087 -16.376 -1.975 1.00 0.00 H ATOM 7 HN1 GLY A 1 -5.086 -15.600 -3.110 1.00 0.00 H ATOM 8 N GLU A 2 -5.952 -19.851 -2.090 1.00 30.89 N ATOM 9 CA GLU A 2 -5.559 -21.209 -1.731 1.00 35.46 C ATOM 10 C GLU A 2 -5.719 -22.123 -2.939 1.00 36.57 C ATOM 11 O GLU A 2 -6.814 -22.230 -3.504 1.00 32.42 O ATOM 12 CB GLU A 2 -6.382 -21.727 -0.552 1.00 34.79 C ATOM 13 CG GLU A 2 -5.765 -21.419 0.801 1.00 43.74 C ATOM 14 CD GLU A 2 -6.389 -22.230 1.915 1.00 44.59 C ATOM 15 OE1 GLU A 2 -7.600 -22.058 2.161 1.00 57.21 O ATOM 16 OE2 GLU A 2 -5.675 -23.053 2.529 1.00 43.89 O ATOM 17 H GLU A 2 -6.964 -19.645 -2.215 1.00 0.00 H ATOM 18 N PHE A 3 -4.632 -22.787 -3.322 1.00 34.73 N ATOM 19 CA PHE A 3 -4.605 -23.683 -4.466 1.00 30.29 C ATOM 20 C PHE A 3 -4.179 -25.074 -4.016 1.00 28.41 C ATOM 21 O PHE A 3 -3.591 -25.249 -2.946 1.00 33.74 O ATOM 22 CB PHE A 3 -3.644 -23.178 -5.550 1.00 29.00 C ATOM 23 CG PHE A 3 -3.967 -21.802 -6.057 1.00 33.31 C ATOM 24 CD1 PHE A 3 -3.628 -20.678 -5.319 1.00 33.14 C ATOM 25 CD2 PHE A 3 -4.596 -21.630 -7.278 1.00 34.84 C ATOM 26 CE1 PHE A 3 -3.921 -19.412 -5.785 1.00 31.09 C ATOM 27 CE2 PHE A 3 -4.889 -20.365 -7.750 1.00 30.19 C ATOM 28 CZ PHE A 3 -4.551 -19.256 -7.002 1.00 33.53 C ATOM 29 H PHE A 3 -3.757 -22.658 -2.775 1.00 0.00 H ATOM 30 N VAL A 4 -4.484 -26.066 -4.845 1.00 27.47 N ATOM 31 CA VAL A 4 -4.067 -27.436 -4.574 1.00 29.93 C ATOM 32 C VAL A 4 -2.600 -27.589 -4.954 1.00 31.60 C ATOM 33 O VAL A 4 -2.153 -27.078 -5.987 1.00 31.93 O ATOM 34 CB VAL A 4 -4.953 -28.436 -5.338 1.00 32.54 C ATOM 35 CG1 VAL A 4 -4.543 -29.865 -5.012 1.00 29.96 C ATOM 36 CG2 VAL A 4 -6.424 -28.210 -5.014 1.00 34.01 C ATOM 37 H VAL A 4 -5.032 -25.861 -5.705 1.00 0.00 H ATOM 38 N VAL A 5 -1.842 -28.287 -4.113 1.00 29.09 N ATOM 39 CA VAL A 5 -0.416 -28.510 -4.333 1.00 35.64 C ATOM 40 C VAL A 5 -0.208 -29.911 -4.881 1.00 38.48 C ATOM 41 O VAL A 5 -0.846 -30.872 -4.431 1.00 38.10 O ATOM 42 CB VAL A 5 0.389 -28.309 -3.035 1.00 32.99 C ATOM 43 CG1 VAL A 5 1.879 -28.511 -3.288 1.00 33.34 C ATOM 44 CG2 VAL A 5 0.128 -26.935 -2.464 1.00 29.43 C ATOM 45 H VAL A 5 -2.284 -28.691 -3.263 1.00 0.00 H ATOM 46 N GLU A 6 0.694 -30.029 -5.855 1.00 36.31 N ATOM 47 CA GLU A 6 1.042 -31.311 -6.449 1.00 34.03 C ATOM 48 C GLU A 6 2.263 -31.956 -5.806 1.00 35.14 C ATOM 49 O GLU A 6 2.261 -33.169 -5.570 1.00 32.60 O ATOM 50 CB GLU A 6 1.286 -31.140 -7.949 1.00 38.79 C ATOM 51 CG GLU A 6 1.242 -32.439 -8.726 1.00 56.58 C ATOM 52 CD GLU A 6 1.099 -32.222 -10.216 1.00 55.13 C ATOM 53 OE1 GLU A 6 1.797 -31.344 -10.764 1.00 52.19 O ATOM 54 OE2 GLU A 6 0.271 -32.921 -10.835 1.00 74.98 O ATOM 55 H GLU A 6 1.168 -29.171 -6.204 1.00 0.00 H ATOM 56 N LYS A 7 3.301 -31.177 -5.501 1.00 34.16 N ATOM 57 CA LYS A 7 4.524 -31.738 -4.943 1.00 33.49 C ATOM 58 C LYS A 7 5.338 -30.632 -4.288 1.00 32.09 C ATOM 59 O LYS A 7 5.322 -29.482 -4.735 1.00 28.57 O ATOM 60 CB LYS A 7 5.354 -32.439 -6.026 1.00 35.29 C ATOM 61 CG LYS A 7 6.392 -33.415 -5.494 1.00 38.43 C ATOM 62 CD LYS A 7 7.282 -33.932 -6.617 1.00 37.01 C ATOM 63 CE LYS A 7 8.251 -34.990 -6.112 1.00 42.96 C ATOM 64 NZ LYS A 7 9.266 -35.337 -7.146 1.00 44.15 N ATOM 65 HZ1 LYS A 7 8.786 -35.706 -7.992 1.00 0.00 H ATOM 66 HZ2 LYS A 7 9.808 -34.486 -7.397 1.00 0.00 H ATOM 67 HZ3 LYS A 7 9.910 -36.061 -6.768 1.00 0.00 H ATOM 68 H LYS A 7 3.237 -30.152 -5.664 1.00 0.00 H ATOM 69 N VAL A 8 6.045 -30.993 -3.218 1.00 29.21 N ATOM 70 CA VAL A 8 7.013 -30.113 -2.573 1.00 32.30 C ATOM 71 C VAL A 8 8.388 -30.440 -3.132 1.00 25.08 C ATOM 72 O VAL A 8 8.820 -31.599 -3.098 1.00 29.96 O ATOM 73 CB VAL A 8 6.988 -30.269 -1.043 1.00 38.18 C ATOM 74 CG1 VAL A 8 8.057 -29.392 -0.407 1.00 29.79 C ATOM 75 CG2 VAL A 8 5.607 -29.929 -0.492 1.00 36.73 C ATOM 76 H VAL A 8 5.900 -31.945 -2.825 1.00 0.00 H ATOM 77 N LEU A 9 9.079 -29.424 -3.646 1.00 27.99 N ATOM 78 CA LEU A 9 10.321 -29.639 -4.377 1.00 30.33 C ATOM 79 C LEU A 9 11.576 -29.316 -3.579 1.00 30.98 C ATOM 80 O LEU A 9 12.594 -29.990 -3.763 1.00 34.89 O ATOM 81 CB LEU A 9 10.324 -28.807 -5.664 1.00 31.65 C ATOM 82 CG LEU A 9 9.221 -29.101 -6.683 1.00 32.09 C ATOM 83 CD1 LEU A 9 9.380 -28.213 -7.905 1.00 23.18 C ATOM 84 CD2 LEU A 9 9.216 -30.569 -7.075 1.00 31.03 C ATOM 85 H LEU A 9 8.724 -28.454 -3.523 1.00 0.00 H ATOM 86 N ASP A 10 11.547 -28.311 -2.707 1.00 29.06 N ATOM 87 CA ASP A 10 12.762 -27.906 -2.013 1.00 33.11 C ATOM 88 C ASP A 10 12.386 -27.138 -0.753 1.00 31.88 C ATOM 89 O ASP A 10 11.211 -26.869 -0.492 1.00 24.81 O ATOM 90 CB ASP A 10 13.668 -27.072 -2.925 1.00 27.80 C ATOM 91 CG ASP A 10 15.138 -27.204 -2.565 1.00 35.73 C ATOM 92 OD1 ASP A 10 15.485 -27.000 -1.384 1.00 28.87 O ATOM 93 OD2 ASP A 10 15.944 -27.526 -3.463 1.00 53.10 O ATOM 94 H ASP A 10 10.653 -27.813 -2.520 1.00 0.00 H ATOM 95 N ARG A 11 13.412 -26.785 0.027 1.00 30.05 N ATOM 96 CA ARG A 11 13.247 -26.104 1.305 1.00 31.16 C ATOM 97 C ARG A 11 14.363 -25.085 1.492 1.00 29.11 C ATOM 98 O ARG A 11 15.496 -25.312 1.062 1.00 29.49 O ATOM 99 CB ARG A 11 13.256 -27.105 2.468 1.00 30.20 C ATOM 100 CG ARG A 11 13.115 -26.483 3.850 1.00 31.98 C ATOM 101 CD ARG A 11 13.439 -27.494 4.941 1.00 37.55 C ATOM 102 NE ARG A 11 13.033 -27.032 6.266 1.00 42.02 N ATOM 103 CZ ARG A 11 13.810 -26.333 7.087 1.00 44.24 C ATOM 104 NH1 ARG A 11 15.042 -26.008 6.723 1.00 48.69 N ATOM 105 NH2 ARG A 11 13.353 -25.958 8.275 1.00 45.13 N ATOM 106 HE ARG A 11 12.072 -27.266 6.588 1.00 0.00 H ATOM 107 HH12 ARG A 11 15.647 -25.461 7.368 1.00 0.00 H ATOM 108 HH11 ARG A 11 15.403 -26.300 5.793 1.00 0.00 H ATOM 109 HH22 ARG A 11 13.961 -25.411 8.917 1.00 0.00 H ATOM 110 HH21 ARG A 11 12.387 -26.211 8.564 1.00 0.00 H ATOM 111 H ARG A 11 14.376 -27.007 -0.294 1.00 0.00 H ATOM 112 N ARG A 12 14.040 -23.966 2.141 1.00 33.44 N ATOM 113 CA ARG A 12 15.025 -22.931 2.422 1.00 31.47 C ATOM 114 C ARG A 12 14.531 -22.064 3.572 1.00 35.26 C ATOM 115 O ARG A 12 13.381 -22.165 4.008 1.00 32.24 O ATOM 116 CB ARG A 12 15.300 -22.070 1.187 1.00 31.12 C ATOM 117 CG ARG A 12 14.247 -21.005 0.941 1.00 29.71 C ATOM 118 CD ARG A 12 14.504 -20.255 -0.354 1.00 30.70 C ATOM 119 NE ARG A 12 13.568 -19.151 -0.543 1.00 29.00 N ATOM 120 CZ ARG A 12 13.568 -18.351 -1.603 1.00 31.09 C ATOM 121 NH1 ARG A 12 14.452 -18.539 -2.572 1.00 32.72 N ATOM 122 NH2 ARG A 12 12.683 -17.368 -1.696 1.00 29.21 N ATOM 123 HE ARG A 12 12.858 -18.981 0.197 1.00 0.00 H ATOM 124 HH12 ARG A 12 14.454 -17.914 -3.403 1.00 0.00 H ATOM 125 HH11 ARG A 12 15.144 -19.312 -2.502 1.00 0.00 H ATOM 126 HH22 ARG A 12 12.685 -16.743 -2.527 1.00 0.00 H ATOM 127 HH21 ARG A 12 11.986 -17.222 -0.938 1.00 0.00 H ATOM 128 H ARG A 12 13.058 -23.829 2.455 1.00 0.00 H ATOM 129 N VAL A 13 15.419 -21.201 4.059 1.00 26.99 N ATOM 130 CA VAL A 13 15.094 -20.217 5.086 1.00 31.41 C ATOM 131 C VAL A 13 15.438 -18.836 4.544 1.00 31.61 C ATOM 132 O VAL A 13 16.562 -18.608 4.082 1.00 36.04 O ATOM 133 CB VAL A 13 15.848 -20.490 6.401 1.00 31.56 C ATOM 134 CG1 VAL A 13 15.535 -19.408 7.425 1.00 28.80 C ATOM 135 CG2 VAL A 13 15.497 -21.868 6.947 1.00 30.81 C ATOM 136 H VAL A 13 16.391 -21.229 3.690 1.00 0.00 H ATOM 137 N VAL A 14 14.470 -17.922 4.590 1.00 30.40 N ATOM 138 CA VAL A 14 14.652 -16.560 4.094 1.00 32.94 C ATOM 139 C VAL A 14 14.049 -15.596 5.107 1.00 34.41 C ATOM 140 O VAL A 14 12.861 -15.698 5.432 1.00 36.03 O ATOM 141 CB VAL A 14 14.012 -16.345 2.711 1.00 34.57 C ATOM 142 CG1 VAL A 14 13.928 -14.859 2.391 1.00 34.15 C ATOM 143 CG2 VAL A 14 14.809 -17.072 1.642 1.00 37.26 C ATOM 144 H VAL A 14 13.550 -18.188 4.994 1.00 0.00 H ATOM 145 N LYS A 15 14.867 -14.663 5.597 1.00 39.46 N ATOM 146 CA LYS A 15 14.443 -13.655 6.572 1.00 35.86 C ATOM 147 C LYS A 15 13.767 -14.293 7.783 1.00 36.57 C ATOM 148 O LYS A 15 12.779 -13.781 8.313 1.00 39.54 O ATOM 149 CB LYS A 15 13.532 -12.608 5.926 1.00 42.39 C ATOM 150 CG LYS A 15 14.243 -11.679 4.950 1.00 39.30 C ATOM 151 CD LYS A 15 13.336 -10.535 4.524 1.00 42.98 C ATOM 152 CE LYS A 15 13.910 -9.772 3.339 1.00 56.52 C ATOM 153 NZ LYS A 15 12.947 -8.762 2.813 1.00 56.91 N ATOM 154 HZ1 LYS A 15 12.078 -9.242 2.504 1.00 0.00 H ATOM 155 HZ2 LYS A 15 12.719 -8.079 3.563 1.00 0.00 H ATOM 156 HZ3 LYS A 15 13.375 -8.264 2.007 1.00 0.00 H ATOM 157 H LYS A 15 15.854 -14.651 5.271 1.00 0.00 H ATOM 158 N GLY A 16 14.305 -15.427 8.223 1.00 38.64 N ATOM 159 CA GLY A 16 13.841 -16.064 9.438 1.00 36.45 C ATOM 160 C GLY A 16 12.625 -16.949 9.298 1.00 37.52 C ATOM 161 O GLY A 16 12.108 -17.424 10.315 1.00 32.93 O ATOM 162 H GLY A 16 15.077 -15.866 7.682 1.00 0.00 H ATOM 163 N LYS A 17 12.153 -17.195 8.081 1.00 38.11 N ATOM 164 CA LYS A 17 10.984 -18.031 7.853 1.00 35.92 C ATOM 165 C LYS A 17 11.365 -19.233 7.003 1.00 31.45 C ATOM 166 O LYS A 17 12.109 -19.103 6.026 1.00 31.94 O ATOM 167 CB LYS A 17 9.866 -17.238 7.171 1.00 41.34 C ATOM 168 CG LYS A 17 9.171 -16.242 8.083 1.00 43.91 C ATOM 169 CD LYS A 17 8.419 -15.202 7.275 1.00 49.37 C ATOM 170 CE LYS A 17 7.500 -14.380 8.158 1.00 49.37 C ATOM 171 NZ LYS A 17 6.386 -15.207 8.695 1.00 52.62 N ATOM 172 HZ1 LYS A 17 5.830 -15.592 7.905 1.00 0.00 H ATOM 173 HZ2 LYS A 17 6.777 -15.988 9.259 1.00 0.00 H ATOM 174 HZ3 LYS A 17 5.775 -14.616 9.295 1.00 0.00 H ATOM 175 H LYS A 17 12.636 -16.775 7.262 1.00 0.00 H ATOM 176 N VAL A 18 10.859 -20.405 7.385 1.00 29.62 N ATOM 177 CA VAL A 18 11.089 -21.610 6.599 1.00 29.01 C ATOM 178 C VAL A 18 10.197 -21.578 5.367 1.00 34.52 C ATOM 179 O VAL A 18 8.985 -21.349 5.464 1.00 30.93 O ATOM 180 CB VAL A 18 10.825 -22.865 7.442 1.00 29.95 C ATOM 181 CG1 VAL A 18 11.019 -24.114 6.601 1.00 31.60 C ATOM 182 CG2 VAL A 18 11.740 -22.891 8.653 1.00 38.92 C ATOM 183 H VAL A 18 10.293 -20.460 8.255 1.00 0.00 H ATOM 184 N GLU A 19 10.793 -21.806 4.201 1.00 26.47 N ATOM 185 CA GLU A 19 10.063 -21.785 2.944 1.00 35.56 C ATOM 186 C GLU A 19 10.217 -23.114 2.221 1.00 31.90 C ATOM 187 O GLU A 19 11.242 -23.790 2.337 1.00 34.88 O ATOM 188 CB GLU A 19 10.540 -20.642 2.042 1.00 31.36 C ATOM 189 CG GLU A 19 10.045 -19.275 2.479 1.00 30.90 C ATOM 190 CD GLU A 19 10.419 -18.185 1.503 1.00 31.85 C ATOM 191 OE1 GLU A 19 11.088 -18.494 0.495 1.00 36.00 O ATOM 192 OE2 GLU A 19 10.041 -17.020 1.742 1.00 36.73 O ATOM 193 H GLU A 19 11.814 -22.006 4.188 1.00 0.00 H ATOM 194 N TYR A 20 9.176 -23.482 1.478 1.00 33.29 N ATOM 195 CA TYR A 20 9.162 -24.692 0.672 1.00 28.86 C ATOM 196 C TYR A 20 8.831 -24.342 -0.772 1.00 29.62 C ATOM 197 O TYR A 20 7.973 -23.493 -1.035 1.00 27.43 O ATOM 198 CB TYR A 20 8.148 -25.708 1.205 1.00 28.79 C ATOM 199 CG TYR A 20 8.562 -26.365 2.501 1.00 34.38 C ATOM 200 CD1 TYR A 20 9.334 -27.519 2.500 1.00 32.91 C ATOM 201 CD2 TYR A 20 8.179 -25.834 3.726 1.00 32.29 C ATOM 202 CE1 TYR A 20 9.715 -28.127 3.682 1.00 33.13 C ATOM 203 CE2 TYR A 20 8.555 -26.435 4.915 1.00 33.16 C ATOM 204 CZ TYR A 20 9.324 -27.582 4.886 1.00 33.79 C ATOM 205 OH TYR A 20 9.706 -28.186 6.063 1.00 36.10 O ATOM 206 HH TYR A 20 10.248 -28.989 5.860 1.00 0.00 H ATOM 207 H TYR A 20 8.332 -22.875 1.474 1.00 0.00 H ATOM 208 N LEU A 21 9.515 -24.996 -1.704 1.00 27.95 N ATOM 209 CA LEU A 21 9.266 -24.799 -3.125 1.00 27.06 C ATOM 210 C LEU A 21 8.113 -25.701 -3.546 1.00 27.58 C ATOM 211 O LEU A 21 8.215 -26.930 -3.458 1.00 30.59 O ATOM 212 CB LEU A 21 10.521 -25.100 -3.940 1.00 25.28 C ATOM 213 CG LEU A 21 10.419 -24.849 -5.442 1.00 24.90 C ATOM 214 CD1 LEU A 21 9.955 -23.427 -5.703 1.00 25.70 C ATOM 215 CD2 LEU A 21 11.756 -25.106 -6.109 1.00 29.48 C ATOM 216 H LEU A 21 10.251 -25.669 -1.410 1.00 0.00 H ATOM 217 N LEU A 22 7.021 -25.096 -3.999 1.00 23.79 N ATOM 218 CA LEU A 22 5.787 -25.815 -4.283 1.00 30.20 C ATOM 219 C LEU A 22 5.570 -25.924 -5.784 1.00 27.56 C ATOM 220 O LEU A 22 5.735 -24.941 -6.515 1.00 28.55 O ATOM 221 CB LEU A 22 4.589 -25.116 -3.637 1.00 25.45 C ATOM 222 CG LEU A 22 4.635 -24.933 -2.120 1.00 23.06 C ATOM 223 CD1 LEU A 22 3.349 -24.294 -1.630 1.00 26.17 C ATOM 224 CD2 LEU A 22 4.860 -26.269 -1.449 1.00 22.41 C ATOM 225 H LEU A 22 7.048 -24.068 -4.157 1.00 0.00 H ATOM 226 N LYS A 23 5.202 -27.119 -6.239 1.00 29.64 N ATOM 227 CA LYS A 23 4.677 -27.316 -7.583 1.00 33.24 C ATOM 228 C LYS A 23 3.158 -27.374 -7.482 1.00 33.10 C ATOM 229 O LYS A 23 2.611 -28.252 -6.806 1.00 29.00 O ATOM 230 CB LYS A 23 5.225 -28.588 -8.229 1.00 31.03 C ATOM 231 CG LYS A 23 5.351 -28.485 -9.744 1.00 35.76 C ATOM 232 CD LYS A 23 4.743 -29.671 -10.469 1.00 40.72 C ATOM 233 CE LYS A 23 4.702 -29.415 -11.974 1.00 42.29 C ATOM 234 NZ LYS A 23 4.012 -30.503 -12.722 1.00 66.85 N ATOM 235 HZ1 LYS A 23 4.511 -31.401 -12.564 1.00 0.00 H ATOM 236 HZ2 LYS A 23 3.032 -30.586 -12.385 1.00 0.00 H ATOM 237 HZ3 LYS A 23 4.013 -30.278 -13.737 1.00 0.00 H ATOM 238 H LYS A 23 5.293 -27.943 -5.611 1.00 0.00 H ATOM 239 N TRP A 24 2.485 -26.434 -8.135 1.00 35.33 N ATOM 240 CA TRP A 24 1.040 -26.308 -8.027 1.00 33.24 C ATOM 241 C TRP A 24 0.345 -27.247 -9.002 1.00 31.97 C ATOM 242 O TRP A 24 0.792 -27.425 -10.138 1.00 29.17 O ATOM 243 CB TRP A 24 0.611 -24.865 -8.294 1.00 29.75 C ATOM 244 CG TRP A 24 1.267 -23.890 -7.379 1.00 34.10 C ATOM 245 CD1 TRP A 24 2.361 -23.119 -7.647 1.00 37.19 C ATOM 246 CD2 TRP A 24 0.883 -23.589 -6.033 1.00 35.20 C ATOM 247 NE1 TRP A 24 2.676 -22.350 -6.553 1.00 31.23 N ATOM 248 CE2 TRP A 24 1.785 -22.620 -5.549 1.00 30.57 C ATOM 249 CE3 TRP A 24 -0.139 -24.042 -5.191 1.00 35.46 C ATOM 250 CZ2 TRP A 24 1.695 -22.097 -4.262 1.00 33.29 C ATOM 251 CZ3 TRP A 24 -0.227 -23.521 -3.914 1.00 30.96 C ATOM 252 CH2 TRP A 24 0.685 -22.559 -3.462 1.00 38.97 C ATOM 253 HE1 TRP A 24 3.463 -21.673 -6.497 1.00 0.00 H ATOM 254 H TRP A 24 3.006 -25.769 -8.741 1.00 0.00 H ATOM 255 N LYS A 25 -0.751 -27.853 -8.546 1.00 38.85 N ATOM 256 CA LYS A 25 -1.561 -28.681 -9.430 1.00 38.26 C ATOM 257 C LYS A 25 -2.125 -27.830 -10.557 1.00 36.11 C ATOM 258 O LYS A 25 -2.607 -26.717 -10.329 1.00 36.24 O ATOM 259 CB LYS A 25 -2.695 -29.348 -8.652 1.00 41.24 C ATOM 260 CG LYS A 25 -3.486 -30.358 -9.468 1.00 43.46 C ATOM 261 CD LYS A 25 -4.661 -30.922 -8.684 1.00 52.33 C ATOM 262 CE LYS A 25 -5.361 -32.019 -9.472 1.00 58.32 C ATOM 263 NZ LYS A 25 -6.576 -32.522 -8.777 1.00 70.52 N ATOM 264 HZ1 LYS A 25 -6.308 -32.910 -7.850 1.00 0.00 H ATOM 265 HZ2 LYS A 25 -7.248 -31.739 -8.645 1.00 0.00 H ATOM 266 HZ3 LYS A 25 -7.019 -33.267 -9.351 1.00 0.00 H ATOM 267 H LYS A 25 -1.030 -27.734 -7.551 1.00 0.00 H ATOM 268 N GLY A 26 -2.056 -28.351 -11.781 1.00 34.57 N ATOM 269 CA GLY A 26 -2.462 -27.608 -12.952 1.00 38.90 C ATOM 270 C GLY A 26 -1.446 -26.605 -13.450 1.00 38.31 C ATOM 271 O GLY A 26 -1.533 -26.179 -14.609 1.00 33.18 O ATOM 272 H GLY A 26 -1.699 -29.321 -11.897 1.00 0.00 H ATOM 273 N GLY A 27 -0.485 -26.208 -12.610 1.00 35.15 N ATOM 274 CA GLY A 27 0.569 -25.315 -13.034 1.00 31.22 C ATOM 275 C GLY A 27 1.757 -26.066 -13.603 1.00 28.10 C ATOM 276 O GLY A 27 1.882 -27.279 -13.455 1.00 30.19 O ATOM 277 H GLY A 27 -0.496 -26.550 -11.628 1.00 0.00 H ATOM 278 N SER A 28 2.633 -25.321 -14.271 1.00 28.39 N ATOM 279 CA SER A 28 3.838 -25.873 -14.867 1.00 31.31 C ATOM 280 C SER A 28 5.045 -25.573 -13.982 1.00 35.35 C ATOM 281 O SER A 28 4.931 -24.990 -12.899 1.00 30.70 O ATOM 282 CB SER A 28 4.044 -25.314 -16.276 1.00 34.18 C ATOM 283 OG SER A 28 4.340 -23.929 -16.233 1.00 35.69 O ATOM 284 HG SER A 28 3.590 -23.445 -15.805 1.00 0.00 H ATOM 285 H SER A 28 2.448 -24.302 -14.371 1.00 0.00 H ATOM 286 N ASP A 29 6.225 -25.981 -14.458 1.00 29.50 N ATOM 287 CA ASP A 29 7.457 -25.702 -13.728 1.00 34.36 C ATOM 288 C ASP A 29 7.721 -24.207 -13.633 1.00 32.39 C ATOM 289 O ASP A 29 8.349 -23.747 -12.674 1.00 36.64 O ATOM 290 CB ASP A 29 8.637 -26.410 -14.396 1.00 37.10 C ATOM 291 CG ASP A 29 8.667 -27.898 -14.104 1.00 41.05 C ATOM 292 OD1 ASP A 29 8.441 -28.277 -12.935 1.00 44.17 O ATOM 293 OD2 ASP A 29 8.913 -28.689 -15.039 1.00 41.76 O ATOM 294 H ASP A 29 6.266 -26.502 -15.357 1.00 0.00 H ATOM 295 N GLU A 30 7.251 -23.436 -14.616 1.00 32.50 N ATOM 296 CA GLU A 30 7.358 -21.985 -14.567 1.00 29.64 C ATOM 297 C GLU A 30 6.479 -21.372 -13.486 1.00 34.41 C ATOM 298 O GLU A 30 6.670 -20.200 -13.144 1.00 30.27 O ATOM 299 CB GLU A 30 6.989 -21.383 -15.926 1.00 35.79 C ATOM 300 CG GLU A 30 7.776 -21.938 -17.104 1.00 34.89 C ATOM 301 CD GLU A 30 7.588 -21.123 -18.370 1.00 43.16 C ATOM 302 OE1 GLU A 30 7.167 -19.951 -18.268 1.00 45.08 O ATOM 303 OE2 GLU A 30 7.857 -21.653 -19.469 1.00 49.49 O ATOM 304 H GLU A 30 6.797 -23.883 -15.438 1.00 0.00 H ATOM 305 N ASP A 31 5.526 -22.129 -12.948 1.00 28.76 N ATOM 306 CA ASP A 31 4.589 -21.630 -11.955 1.00 35.86 C ATOM 307 C ASP A 31 5.007 -21.948 -10.526 1.00 32.96 C ATOM 308 O ASP A 31 4.302 -21.556 -9.590 1.00 28.08 O ATOM 309 CB ASP A 31 3.194 -22.204 -12.220 1.00 25.34 C ATOM 310 CG ASP A 31 2.682 -21.874 -13.609 1.00 33.87 C ATOM 311 OD1 ASP A 31 2.736 -20.688 -13.998 1.00 29.72 O ATOM 312 OD2 ASP A 31 2.234 -22.802 -14.314 1.00 37.52 O ATOM 313 H ASP A 31 5.448 -23.121 -13.251 1.00 0.00 H ATOM 314 N ASN A 32 6.124 -22.650 -10.336 1.00 28.92 N ATOM 315 CA ASN A 32 6.590 -22.968 -8.992 1.00 33.09 C ATOM 316 C ASN A 32 6.875 -21.693 -8.212 1.00 31.22 C ATOM 317 O ASN A 32 7.383 -20.712 -8.761 1.00 33.35 O ATOM 318 CB ASN A 32 7.850 -23.832 -9.055 1.00 31.99 C ATOM 319 CG ASN A 32 7.616 -25.147 -9.759 1.00 31.96 C ATOM 320 OD1 ASN A 32 6.477 -25.584 -9.911 1.00 38.00 O ATOM 321 ND2 ASN A 32 8.695 -25.789 -10.193 1.00 26.27 N ATOM 322 HD22 ASN A 32 9.639 -25.380 -10.042 1.00 0.00 H ATOM 323 HD21 ASN A 32 8.595 -26.700 -10.684 1.00 0.00 H ATOM 324 H ASN A 32 6.671 -22.976 -11.159 1.00 0.00 H ATOM 325 N THR A 33 6.535 -21.705 -6.923 1.00 33.76 N ATOM 326 CA THR A 33 6.736 -20.550 -6.060 1.00 29.95 C ATOM 327 C THR A 33 7.218 -21.007 -4.692 1.00 25.75 C ATOM 328 O THR A 33 6.849 -22.081 -4.213 1.00 26.04 O ATOM 329 CB THR A 33 5.452 -19.721 -5.887 1.00 30.68 C ATOM 330 OG1 THR A 33 4.398 -20.560 -5.401 1.00 34.60 O ATOM 331 CG2 THR A 33 5.026 -19.085 -7.200 1.00 33.64 C ATOM 332 HG1 THR A 33 4.661 -20.946 -4.528 1.00 0.00 H ATOM 333 H THR A 33 6.113 -22.566 -6.521 1.00 0.00 H ATOM 334 N TRP A 34 8.057 -20.180 -4.072 1.00 26.25 N ATOM 335 CA TRP A 34 8.476 -20.399 -2.693 1.00 33.43 C ATOM 336 C TRP A 34 7.419 -19.822 -1.762 1.00 31.17 C ATOM 337 O TRP A 34 7.058 -18.646 -1.878 1.00 29.92 O ATOM 338 CB TRP A 34 9.832 -19.747 -2.424 1.00 26.37 C ATOM 339 CG TRP A 34 11.004 -20.467 -3.021 1.00 24.90 C ATOM 340 CD1 TRP A 34 11.649 -20.160 -4.181 1.00 26.83 C ATOM 341 CD2 TRP A 34 11.676 -21.608 -2.477 1.00 29.03 C ATOM 342 NE1 TRP A 34 12.680 -21.041 -4.397 1.00 32.14 N ATOM 343 CE2 TRP A 34 12.719 -21.940 -3.364 1.00 29.47 C ATOM 344 CE3 TRP A 34 11.500 -22.379 -1.324 1.00 29.72 C ATOM 345 CZ2 TRP A 34 13.579 -23.012 -3.137 1.00 25.59 C ATOM 346 CZ3 TRP A 34 12.354 -23.443 -1.102 1.00 27.06 C ATOM 347 CH2 TRP A 34 13.380 -23.749 -2.003 1.00 28.31 C ATOM 348 HE1 TRP A 34 13.326 -21.028 -5.212 1.00 0.00 H ATOM 349 H TRP A 34 8.424 -19.354 -4.586 1.00 0.00 H ATOM 350 N GLU A 35 6.916 -20.645 -0.845 1.00 29.91 N ATOM 351 CA GLU A 35 5.916 -20.194 0.103 1.00 30.61 C ATOM 352 C GLU A 35 6.381 -20.502 1.519 1.00 29.46 C ATOM 353 O GLU A 35 6.875 -21.604 1.787 1.00 28.29 O ATOM 354 CB GLU A 35 4.557 -20.866 -0.156 1.00 29.22 C ATOM 355 CG GLU A 35 4.020 -20.689 -1.578 1.00 29.49 C ATOM 356 CD GLU A 35 3.603 -19.262 -1.870 1.00 34.11 C ATOM 357 OE1 GLU A 35 3.385 -18.500 -0.907 1.00 36.62 O ATOM 358 OE2 GLU A 35 3.496 -18.901 -3.060 1.00 32.97 O ATOM 359 H GLU A 35 7.247 -21.630 -0.808 1.00 0.00 H ATOM 360 N PRO A 36 6.245 -19.549 2.438 1.00 26.89 N ATOM 361 CA PRO A 36 6.569 -19.828 3.843 1.00 35.13 C ATOM 362 C PRO A 36 5.699 -20.947 4.395 1.00 38.14 C ATOM 363 O PRO A 36 4.591 -21.194 3.915 1.00 31.06 O ATOM 364 CB PRO A 36 6.287 -18.494 4.547 1.00 30.60 C ATOM 365 CG PRO A 36 5.427 -17.717 3.594 1.00 32.37 C ATOM 366 CD PRO A 36 5.850 -18.149 2.223 1.00 20.24 C ATOM 367 N GLU A 37 6.219 -21.627 5.422 1.00 32.14 N ATOM 368 CA GLU A 37 5.557 -22.824 5.932 1.00 37.60 C ATOM 369 C GLU A 37 4.175 -22.520 6.497 1.00 39.54 C ATOM 370 O GLU A 37 3.312 -23.404 6.526 1.00 36.73 O ATOM 371 CB GLU A 37 6.431 -23.496 6.993 1.00 35.84 C ATOM 372 CG GLU A 37 6.729 -22.629 8.200 1.00 43.28 C ATOM 373 CD GLU A 37 7.576 -23.345 9.237 1.00 55.68 C ATOM 374 OE1 GLU A 37 7.865 -24.546 9.050 1.00 58.60 O ATOM 375 OE2 GLU A 37 7.953 -22.704 10.241 1.00 47.71 O ATOM 376 H GLU A 37 7.103 -21.300 5.862 1.00 0.00 H ATOM 377 N GLU A 38 3.944 -21.284 6.947 1.00 38.28 N ATOM 378 CA GLU A 38 2.631 -20.927 7.475 1.00 38.22 C ATOM 379 C GLU A 38 1.564 -20.972 6.387 1.00 35.84 C ATOM 380 O GLU A 38 0.383 -21.180 6.685 1.00 35.55 O ATOM 381 CB GLU A 38 2.688 -19.540 8.119 1.00 33.42 C ATOM 382 CG GLU A 38 2.697 -18.388 7.122 1.00 36.04 C ATOM 383 CD GLU A 38 3.562 -17.227 7.569 1.00 43.63 C ATOM 384 OE1 GLU A 38 4.549 -17.468 8.293 1.00 49.90 O ATOM 385 OE2 GLU A 38 3.256 -16.074 7.196 1.00 41.38 O ATOM 386 H GLU A 38 4.703 -20.573 6.921 1.00 0.00 H ATOM 387 N ASN A 39 1.962 -20.788 5.124 1.00 36.96 N ATOM 388 CA ASN A 39 1.022 -20.843 4.011 1.00 32.35 C ATOM 389 C ASN A 39 0.603 -22.266 3.672 1.00 35.97 C ATOM 390 O ASN A 39 -0.380 -22.452 2.947 1.00 33.97 O ATOM 391 CB ASN A 39 1.639 -20.196 2.767 1.00 28.42 C ATOM 392 CG ASN A 39 1.566 -18.685 2.789 1.00 32.79 C ATOM 393 OD1 ASN A 39 1.291 -18.079 3.821 1.00 38.69 O ATOM 394 ND2 ASN A 39 1.819 -18.066 1.642 1.00 31.25 N ATOM 395 HD22 ASN A 39 2.048 -18.620 0.792 1.00 0.00 H ATOM 396 HD21 ASN A 39 1.788 -17.028 1.594 1.00 0.00 H ATOM 397 H ASN A 39 2.967 -20.601 4.931 1.00 0.00 H ATOM 398 N LEU A 40 1.317 -23.267 4.175 1.00 34.72 N ATOM 399 CA LEU A 40 1.177 -24.631 3.687 1.00 32.57 C ATOM 400 C LEU A 40 0.159 -25.413 4.504 1.00 36.52 C ATOM 401 O LEU A 40 0.181 -25.397 5.738 1.00 36.92 O ATOM 402 CB LEU A 40 2.529 -25.349 3.711 1.00 37.85 C ATOM 403 CG LEU A 40 3.428 -25.180 2.477 1.00 38.87 C ATOM 404 CD1 LEU A 40 3.669 -23.718 2.136 1.00 33.22 C ATOM 405 CD2 LEU A 40 4.752 -25.891 2.665 1.00 46.87 C ATOM 406 H LEU A 40 1.995 -23.070 4.939 1.00 0.00 H ATOM 407 N ASP A 41 -0.742 -26.088 3.798 1.00 35.26 N ATOM 408 CA ASP A 41 -1.679 -27.038 4.380 1.00 39.62 C ATOM 409 C ASP A 41 -1.564 -28.372 3.659 1.00 42.81 C ATOM 410 O ASP A 41 -2.563 -28.998 3.292 1.00 41.33 O ATOM 411 CB ASP A 41 -3.110 -26.507 4.332 1.00 40.99 C ATOM 412 CG ASP A 41 -4.063 -27.317 5.194 1.00 43.34 C ATOM 413 OD1 ASP A 41 -3.588 -28.181 5.961 1.00 40.12 O ATOM 414 OD2 ASP A 41 -5.287 -27.094 5.099 1.00 45.00 O ATOM 415 H ASP A 41 -0.780 -25.928 2.771 1.00 0.00 H ATOM 416 N CYS A 42 -0.331 -28.811 3.421 1.00 35.79 N ATOM 417 CA CYS A 42 -0.045 -30.079 2.753 1.00 35.94 C ATOM 418 C CYS A 42 1.004 -30.831 3.560 1.00 43.42 C ATOM 419 O CYS A 42 2.150 -30.992 3.121 1.00 39.58 O ATOM 420 CB CYS A 42 0.421 -29.847 1.316 1.00 42.14 C ATOM 421 SG CYS A 42 1.695 -28.576 1.146 1.00 39.85 S ATOM 422 H CYS A 42 0.470 -28.222 3.726 1.00 0.00 H ATOM 423 N PRO A 43 0.645 -31.304 4.757 1.00 41.74 N ATOM 424 CA PRO A 43 1.640 -32.000 5.588 1.00 43.30 C ATOM 425 C PRO A 43 2.156 -33.278 4.955 1.00 41.76 C ATOM 426 O PRO A 43 3.342 -33.602 5.091 1.00 41.73 O ATOM 427 CB PRO A 43 0.870 -32.276 6.887 1.00 42.78 C ATOM 428 CG PRO A 43 -0.566 -32.304 6.473 1.00 42.77 C ATOM 429 CD PRO A 43 -0.687 -31.277 5.388 1.00 41.30 C ATOM 430 N ASP A 44 1.286 -34.016 4.263 1.00 39.52 N ATOM 431 CA ASP A 44 1.709 -35.252 3.614 1.00 41.47 C ATOM 432 C ASP A 44 2.789 -34.988 2.573 1.00 40.12 C ATOM 433 O ASP A 44 3.749 -35.758 2.455 1.00 38.76 O ATOM 434 CB ASP A 44 0.502 -35.942 2.981 1.00 42.79 C ATOM 435 CG ASP A 44 -0.557 -36.312 4.001 1.00 46.72 C ATOM 436 OD1 ASP A 44 -0.371 -37.317 4.718 1.00 45.74 O ATOM 437 OD2 ASP A 44 -1.568 -35.584 4.098 1.00 48.02 O ATOM 438 H ASP A 44 0.296 -33.707 4.186 1.00 0.00 H ATOM 439 N LEU A 45 2.654 -33.899 1.812 1.00 38.87 N ATOM 440 CA LEU A 45 3.650 -33.578 0.796 1.00 41.67 C ATOM 441 C LEU A 45 4.938 -33.050 1.418 1.00 37.40 C ATOM 442 O LEU A 45 6.030 -33.310 0.899 1.00 37.03 O ATOM 443 CB LEU A 45 3.082 -32.565 -0.201 1.00 36.15 C ATOM 444 CG LEU A 45 1.968 -33.057 -1.128 1.00 37.90 C ATOM 445 CD1 LEU A 45 1.630 -31.995 -2.164 1.00 34.12 C ATOM 446 CD2 LEU A 45 2.370 -34.360 -1.803 1.00 41.64 C ATOM 447 H LEU A 45 1.833 -33.275 1.945 1.00 0.00 H ATOM 448 N ILE A 46 4.832 -32.305 2.521 1.00 36.83 N ATOM 449 CA ILE A 46 6.025 -31.824 3.215 1.00 38.94 C ATOM 450 C ILE A 46 6.845 -32.999 3.730 1.00 38.03 C ATOM 451 O ILE A 46 8.062 -33.072 3.523 1.00 36.26 O ATOM 452 CB ILE A 46 5.639 -30.877 4.365 1.00 36.22 C ATOM 453 CG1 ILE A 46 5.134 -29.538 3.831 1.00 31.06 C ATOM 454 CG2 ILE A 46 6.828 -30.659 5.288 1.00 34.38 C ATOM 455 CD1 ILE A 46 4.785 -28.560 4.932 1.00 39.22 C ATOM 456 H ILE A 46 3.890 -32.064 2.890 1.00 0.00 H ATOM 457 N ALA A 47 6.185 -33.930 4.423 1.00 36.65 N ATOM 458 CA ALA A 47 6.890 -35.065 5.008 1.00 39.58 C ATOM 459 C ALA A 47 7.517 -35.942 3.934 1.00 45.44 C ATOM 460 O ALA A 47 8.640 -36.432 4.101 1.00 43.13 O ATOM 461 CB ALA A 47 5.936 -35.883 5.877 1.00 43.43 C ATOM 462 H ALA A 47 5.156 -33.845 4.547 1.00 0.00 H ATOM 463 N GLU A 48 6.804 -36.154 2.823 1.00 47.49 N ATOM 464 CA GLU A 48 7.357 -36.939 1.724 1.00 46.13 C ATOM 465 C GLU A 48 8.653 -36.328 1.212 1.00 42.15 C ATOM 466 O GLU A 48 9.625 -37.046 0.952 1.00 41.38 O ATOM 467 CB GLU A 48 6.340 -37.049 0.589 1.00 45.07 C ATOM 468 CG GLU A 48 5.206 -38.024 0.849 1.00 51.82 C ATOM 469 CD GLU A 48 4.151 -37.982 -0.240 1.00 60.06 C ATOM 470 OE1 GLU A 48 3.008 -38.416 0.018 1.00 63.27 O ATOM 471 OE2 GLU A 48 4.465 -37.509 -1.353 1.00 54.81 O ATOM 472 H GLU A 48 5.847 -35.756 2.741 1.00 0.00 H ATOM 473 N PHE A 49 8.687 -35.003 1.066 1.00 35.14 N ATOM 474 CA PHE A 49 9.900 -34.346 0.593 1.00 38.45 C ATOM 475 C PHE A 49 11.041 -34.507 1.589 1.00 40.57 C ATOM 476 O PHE A 49 12.160 -34.878 1.214 1.00 39.08 O ATOM 477 CB PHE A 49 9.638 -32.865 0.336 1.00 34.23 C ATOM 478 CG PHE A 49 10.892 -32.053 0.237 1.00 36.08 C ATOM 479 CD1 PHE A 49 11.691 -32.129 -0.891 1.00 36.93 C ATOM 480 CD2 PHE A 49 11.287 -31.231 1.280 1.00 37.81 C ATOM 481 CE1 PHE A 49 12.854 -31.393 -0.983 1.00 33.61 C ATOM 482 CE2 PHE A 49 12.449 -30.491 1.193 1.00 36.36 C ATOM 483 CZ PHE A 49 13.234 -30.574 0.062 1.00 36.08 C ATOM 484 H PHE A 49 7.845 -34.436 1.290 1.00 0.00 H ATOM 485 N LEU A 50 10.779 -34.209 2.863 1.00 41.47 N ATOM 486 CA LEU A 50 11.829 -34.270 3.874 1.00 40.69 C ATOM 487 C LEU A 50 12.362 -35.689 4.021 1.00 42.51 C ATOM 488 O LEU A 50 13.576 -35.905 4.101 1.00 50.20 O ATOM 489 CB LEU A 50 11.299 -33.746 5.208 1.00 39.42 C ATOM 490 CG LEU A 50 10.999 -32.246 5.228 1.00 39.71 C ATOM 491 CD1 LEU A 50 10.303 -31.851 6.513 1.00 39.73 C ATOM 492 CD2 LEU A 50 12.280 -31.450 5.052 1.00 36.65 C ATOM 493 H LEU A 50 9.816 -33.930 3.138 1.00 0.00 H ATOM 494 N GLN A 51 11.463 -36.674 4.057 1.00 45.75 N ATOM 495 CA GLN A 51 11.896 -38.066 4.037 1.00 47.08 C ATOM 496 C GLN A 51 12.698 -38.374 2.781 1.00 50.80 C ATOM 497 O GLN A 51 13.546 -39.274 2.787 1.00 51.34 O ATOM 498 CB GLN A 51 10.683 -38.996 4.129 1.00 45.99 C ATOM 499 CG GLN A 51 9.938 -38.963 5.461 1.00 48.38 C ATOM 500 CD GLN A 51 8.616 -39.710 5.400 1.00 54.08 C ATOM 501 OE1 GLN A 51 8.148 -40.075 4.322 1.00 58.78 O ATOM 502 NE2 GLN A 51 8.009 -39.942 6.559 1.00 63.39 N ATOM 503 HE22 GLN A 51 8.441 -39.615 7.447 1.00 0.00 H ATOM 504 HE21 GLN A 51 7.102 -40.450 6.578 1.00 0.00 H ATOM 505 H GLN A 51 10.449 -36.448 4.100 1.00 0.00 H ATOM 506 N SER A 52 12.461 -37.629 1.701 1.00 47.01 N ATOM 507 CA SER A 52 13.102 -37.945 0.433 1.00 52.41 C ATOM 508 C SER A 52 14.515 -37.384 0.332 1.00 49.40 C ATOM 509 O SER A 52 15.280 -37.832 -0.529 1.00 53.18 O ATOM 510 CB SER A 52 12.254 -37.426 -0.725 1.00 48.68 C ATOM 511 OG SER A 52 12.616 -38.064 -1.934 1.00 62.19 O ATOM 512 HG SER A 52 13.570 -37.883 -2.129 1.00 0.00 H ATOM 513 H SER A 52 11.814 -36.817 1.765 1.00 0.00 H ATOM 514 N GLN A 53 14.875 -36.407 1.171 1.00 49.59 N ATOM 515 CA GLN A 53 16.272 -35.979 1.226 1.00 54.05 C ATOM 516 C GLN A 53 17.168 -37.143 1.610 1.00 57.17 C ATOM 517 O GLN A 53 18.194 -37.393 0.966 1.00 61.52 O ATOM 518 CB GLN A 53 16.478 -34.843 2.231 1.00 52.33 C ATOM 519 CG GLN A 53 15.329 -33.894 2.425 1.00 49.61 C ATOM 520 CD GLN A 53 15.397 -33.221 3.788 1.00 53.55 C ATOM 521 OE1 GLN A 53 15.363 -33.886 4.826 1.00 50.93 O ATOM 522 NE2 GLN A 53 15.493 -31.899 3.791 1.00 52.00 N ATOM 523 HE22 GLN A 53 15.518 -31.377 2.892 1.00 0.00 H ATOM 524 HE21 GLN A 53 15.543 -31.383 4.693 1.00 0.00 H ATOM 525 H GLN A 53 14.165 -35.954 1.781 1.00 0.00 H ATOM 526 N LYS A 54 16.803 -37.861 2.662 1.00 57.76 N ATOM 527 CA LYS A 54 17.611 -38.981 3.112 1.00 64.63 C ATOM 528 C LYS A 54 16.898 -40.319 2.970 1.00 65.84 C ATOM 529 O LYS A 54 16.424 -40.676 1.893 1.00 67.44 O ATOM 530 CB LYS A 54 18.027 -38.809 4.571 1.00 69.56 C ATOM 531 H LYS A 54 15.929 -37.620 3.171 1.00 0.00 H TER 532 LYS A 54 HETATM 533 O HOH 1 0.741 -38.327 -0.289 1.00 65.19 O HETATM 534 O HOH 2 -0.308 -25.738 -16.693 1.00 33.01 O HETATM 535 O HOH 3 18.146 -26.283 -3.026 1.00 57.08 O HETATM 536 O HOH 4 8.908 -17.053 -11.132 1.00 42.50 O HETATM 537 O HOH 5 -9.260 -21.970 -2.409 1.00 41.92 O HETATM 538 O HOH 6 6.766 -18.982 7.932 1.00 37.87 O HETATM 539 O HOH 7 17.239 -13.808 4.452 1.00 35.82 O HETATM 540 O HOH 8 11.142 -24.710 -9.463 1.00 36.08 O HETATM 541 O HOH 9 6.025 -33.566 -1.892 1.00 34.35 O HETATM 542 O HOH 10 3.756 -24.969 -10.257 1.00 30.24 O HETATM 543 O HOH 11 -2.796 -32.875 -4.038 1.00 42.86 O HETATM 544 O HOH 12 5.934 -18.362 10.649 1.00 48.17 O HETATM 545 O HOH 13 -0.068 -30.430 -12.800 1.00 51.72 O HETATM 546 O HOH 14 -5.827 -25.160 -7.264 1.00 32.25 O HETATM 547 O HOH 15 18.321 -21.588 3.619 1.00 37.11 O HETATM 548 O HOH 16 8.532 -17.384 -5.306 1.00 36.59 O HETATM 549 O HOH 17 -1.793 -17.879 -9.234 1.00 32.38 O HETATM 550 N THR A 18 -5.885 -36.568 2.696 1.00 0.24 N HETATM 551 CA THR A 18 -6.613 -35.306 2.732 1.00 0.06 C HETATM 552 C THR A 18 -6.169 -34.392 1.596 1.00 0.23 C HETATM 553 O THR A 18 -5.214 -34.695 0.882 1.00 -0.39 O HETATM 554 N THR A 18 -6.868 -33.272 1.437 1.00 -0.26 N HETATM 555 CA THR A 18 -6.550 -32.335 0.368 1.00 0.13 C HETATM 556 C THR A 18 -5.253 -31.599 0.684 1.00 0.20 C HETATM 557 O THR A 18 -5.115 -30.991 1.750 1.00 -0.39 O HETATM 558 N THR A 18 -4.300 -31.661 -0.242 1.00 -0.26 N HETATM 559 CA THR A 18 -3.023 -30.967 -0.097 1.00 0.13 C HETATM 560 C THR A 18 -3.171 -29.591 -0.733 1.00 0.20 C HETATM 561 O THR A 18 -3.182 -29.458 -1.959 1.00 -0.39 O HETATM 562 N THR A 18 -3.300 -28.563 0.101 1.00 -0.26 N HETATM 563 CA THR A 18 -3.489 -27.197 -0.361 1.00 0.16 C HETATM 564 C THR A 18 -2.407 -26.306 0.232 1.00 0.21 C HETATM 565 O THR A 18 -1.680 -26.697 1.149 1.00 -0.39 O HETATM 566 N THR A 18 -2.307 -25.092 -0.302 1.00 -0.26 N HETATM 567 CA THR A 18 -1.399 -24.100 0.250 1.00 0.13 C HETATM 568 C THR A 18 -1.825 -22.723 -0.224 1.00 0.20 C HETATM 569 O THR A 18 -2.379 -22.570 -1.315 1.00 -0.39 O HETATM 570 N THR A 18 -1.553 -21.727 0.610 1.00 -0.26 N HETATM 571 CA THR A 18 -1.811 -20.340 0.263 1.00 0.13 C HETATM 572 C THR A 18 -0.696 -19.835 -0.645 1.00 0.20 C HETATM 573 O THR A 18 0.470 -20.186 -0.461 1.00 -0.39 O HETATM 574 N THR A 18 -1.054 -19.019 -1.630 1.00 -0.26 N HETATM 575 CA THR A 18 -0.048 -18.490 -2.598 1.00 0.13 C HETATM 576 C THR A 18 0.100 -17.006 -2.420 1.00 0.20 C HETATM 577 O THR A 18 -0.859 -16.254 -2.590 1.00 -0.39 O HETATM 578 N THR A 18 1.307 -16.573 -2.068 1.00 -0.27 N HETATM 579 CA THR A 18 1.596 -15.151 -1.910 1.00 0.12 C HETATM 580 C THR A 18 2.107 -14.550 -3.214 1.00 0.06 C HETATM 581 O THR A 18 2.638 -15.259 -4.067 1.00 -0.57 O HETATM 582 OXT THR A 18 1.997 -13.345 -3.436 1.00 -0.57 O HETATM 583 CB THR A 18 2.618 -14.926 -0.794 1.00 0.08 C HETATM 584 OG THR A 18 2.039 -15.144 0.481 1.00 -0.39 O HETATM 585 H77 THR A 18 2.693 -14.998 1.154 1.00 0.21 H HETATM 586 H75 THR A 18 2.987 -13.891 -0.849 1.00 0.06 H HETATM 587 H76 THR A 18 3.458 -15.623 -0.931 1.00 0.06 H HETATM 588 H74 THR A 18 0.662 -14.639 -1.635 1.00 0.07 H HETATM 589 H73 THR A 18 2.036 -17.239 -1.907 1.00 0.19 H HETATM 590 CB THR A 18 -0.462 -18.824 -4.030 1.00 -0.01 C HETATM 591 CG THR A 18 0.546 -18.300 -5.047 1.00 -0.04 C HETATM 592 CD THR A 18 0.013 -18.409 -6.475 1.00 -0.01 C HETATM 593 CE THR A 18 -0.133 -19.859 -6.920 1.00 -0.03 C HETATM 594 NZ THR A 18 -0.560 -19.983 -8.304 1.00 0.24 N HETATM 595 CH THR A 18 -0.764 -21.390 -8.592 1.00 0.00 C HETATM 596 C1 THR A 18 -1.036 -21.706 -10.047 1.00 0.00 C HETATM 597 C2 THR A 18 -1.712 -22.877 -10.374 1.00 -0.06 C HETATM 598 C3 THR A 18 -1.971 -23.189 -11.703 1.00 -0.07 C HETATM 599 C4 THR A 18 -1.553 -22.330 -12.713 1.00 -0.07 C HETATM 600 C5 THR A 18 -0.875 -21.160 -12.388 1.00 -0.07 C HETATM 601 C6 THR A 18 -0.616 -20.848 -11.057 1.00 -0.06 C HETATM 602 H72 THR A 18 -0.086 -19.936 -10.807 1.00 0.06 H HETATM 603 H71 THR A 18 -0.547 -20.489 -13.174 1.00 0.06 H HETATM 604 H70 THR A 18 -1.755 -22.571 -13.750 1.00 0.06 H HETATM 605 H69 THR A 18 -2.499 -24.102 -11.952 1.00 0.06 H HETATM 606 H68 THR A 18 -2.038 -23.549 -9.588 1.00 0.06 H HETATM 607 H66 THR A 18 -1.622 -21.740 -7.999 1.00 0.10 H HETATM 608 H67 THR A 18 0.140 -21.937 -8.286 1.00 0.10 H HETATM 609 H64 THR A 18 0.150 -19.609 -8.915 1.00 0.20 H HETATM 610 H65 THR A 18 -1.422 -19.478 -8.442 1.00 0.20 H HETATM 611 H62 THR A 18 -0.878 -20.351 -6.277 1.00 0.08 H HETATM 612 H63 THR A 18 0.839 -20.361 -6.806 1.00 0.08 H HETATM 613 H60 THR A 18 0.711 -17.897 -7.155 1.00 0.03 H HETATM 614 H61 THR A 18 -0.972 -17.921 -6.525 1.00 0.03 H HETATM 615 H58 THR A 18 1.473 -18.887 -4.966 1.00 0.03 H HETATM 616 H59 THR A 18 0.760 -17.244 -4.826 1.00 0.03 H HETATM 617 H56 THR A 18 -1.442 -18.368 -4.233 1.00 0.03 H HETATM 618 H57 THR A 18 -0.537 -19.916 -4.133 1.00 0.03 H HETATM 619 H55 THR A 18 0.922 -18.967 -2.394 1.00 0.08 H HETATM 620 H54 THR A 18 -2.014 -18.755 -1.725 1.00 0.19 H HETATM 621 CB THR A 18 -1.915 -19.484 1.527 1.00 -0.01 C HETATM 622 CG THR A 18 -2.369 -18.057 1.292 1.00 -0.02 C HETATM 623 CD THR A 18 -2.620 -17.342 2.612 1.00 0.06 C HETATM 624 NE THR A 18 -3.044 -15.960 2.414 1.00 -0.27 N HETATM 625 CZ THR A 18 -2.212 -14.926 2.355 1.00 0.29 C HETATM 626 NH1 THR A 18 -2.684 -13.701 2.171 1.00 -0.28 N HETATM 627 H50 THR A 18 -2.037 -12.901 2.126 1.00 0.26 H HETATM 628 H51 THR A 18 -3.698 -13.549 2.073 1.00 0.26 H HETATM 629 NH2 THR A 18 -0.905 -15.117 2.481 1.00 -0.28 N HETATM 630 H52 THR A 18 -0.535 -16.067 2.624 1.00 0.26 H HETATM 631 H53 THR A 18 -0.261 -14.315 2.436 1.00 0.26 H HETATM 632 H49 THR A 18 -4.052 -15.774 2.314 1.00 0.26 H HETATM 633 H47 THR A 18 -1.691 -17.347 3.201 1.00 0.07 H HETATM 634 H48 THR A 18 -3.406 -17.879 3.163 1.00 0.07 H HETATM 635 H45 THR A 18 -3.300 -18.067 0.706 1.00 0.03 H HETATM 636 H46 THR A 18 -1.589 -17.518 0.733 1.00 0.03 H HETATM 637 H43 THR A 18 -0.924 -19.454 2.003 1.00 0.03 H HETATM 638 H44 THR A 18 -2.634 -19.964 2.207 1.00 0.03 H HETATM 639 H42 THR A 18 -2.766 -20.280 -0.280 1.00 0.08 H HETATM 640 H41 THR A 18 -1.159 -21.938 1.504 1.00 0.19 H HETATM 641 CB THR A 18 0.057 -24.358 -0.148 1.00 -0.02 C HETATM 642 H38 THR A 18 0.701 -23.583 0.293 1.00 0.03 H HETATM 643 H39 THR A 18 0.148 -24.330 -1.244 1.00 0.03 H HETATM 644 H40 THR A 18 0.368 -25.346 0.221 1.00 0.03 H HETATM 645 H37 THR A 18 -1.468 -24.137 1.347 1.00 0.08 H HETATM 646 H36 THR A 18 -2.866 -24.858 -1.097 1.00 0.19 H HETATM 647 CB THR A 18 -4.875 -26.650 0.019 1.00 0.09 C HETATM 648 OG1 THR A 18 -4.947 -26.472 1.439 1.00 -0.39 O HETATM 649 H32 THR A 18 -5.804 -26.134 1.672 1.00 0.21 H HETATM 650 CG2 THR A 18 -5.976 -27.604 -0.421 1.00 -0.03 C HETATM 651 H33 THR A 18 -6.955 -27.190 -0.138 1.00 0.03 H HETATM 652 H34 THR A 18 -5.835 -28.578 0.069 1.00 0.03 H HETATM 653 H35 THR A 18 -5.935 -27.733 -1.513 1.00 0.03 H HETATM 654 H31 THR A 18 -5.023 -25.679 -0.477 1.00 0.06 H HETATM 655 H30 THR A 18 -3.399 -27.185 -1.457 1.00 0.08 H HETATM 656 H29 THR A 18 -3.266 -28.736 1.085 1.00 0.19 H HETATM 657 CB THR A 18 -1.897 -31.769 -0.739 1.00 0.00 C HETATM 658 CG THR A 18 -1.855 -33.232 -0.316 1.00 0.04 C HETATM 659 CD THR A 18 -1.581 -33.413 1.165 1.00 0.17 C HETATM 660 OE1 THR A 18 -0.520 -33.039 1.663 1.00 -0.40 O HETATM 661 NE2 THR A 18 -2.539 -33.993 1.877 1.00 -0.30 N HETATM 662 H27 THR A 18 -2.414 -34.139 2.858 1.00 0.18 H HETATM 663 H28 THR A 18 -3.386 -34.285 1.432 1.00 0.18 H HETATM 664 H25 THR A 18 -1.061 -33.739 -0.884 1.00 0.05 H HETATM 665 H26 THR A 18 -2.825 -33.693 -0.552 1.00 0.05 H HETATM 666 H23 THR A 18 -0.940 -31.302 -0.463 1.00 0.03 H HETATM 667 H24 THR A 18 -2.023 -31.729 -1.831 1.00 0.03 H HETATM 668 H22 THR A 18 -2.796 -30.845 0.972 1.00 0.08 H HETATM 669 H21 THR A 18 -4.464 -32.202 -1.067 1.00 0.19 H HETATM 670 CB THR A 18 -7.694 -31.341 0.181 1.00 -0.01 C HETATM 671 CG THR A 18 -7.887 -30.865 -1.248 1.00 -0.04 C HETATM 672 CD THR A 18 -9.145 -30.021 -1.372 1.00 -0.01 C HETATM 673 CE THR A 18 -9.655 -30.003 -2.803 1.00 -0.04 C HETATM 674 NZ THR A 18 -10.901 -29.199 -2.939 1.00 0.22 N HETATM 675 H18 THR A 18 -11.206 -29.212 -3.900 1.00 0.20 H HETATM 676 H19 THR A 18 -10.720 -28.248 -2.657 1.00 0.20 H HETATM 677 H20 THR A 18 -11.620 -29.592 -2.353 1.00 0.20 H HETATM 678 H16 THR A 18 -9.862 -31.036 -3.120 1.00 0.08 H HETATM 679 H17 THR A 18 -8.880 -29.569 -3.451 1.00 0.08 H HETATM 680 H14 THR A 18 -8.919 -28.991 -1.059 1.00 0.03 H HETATM 681 H15 THR A 18 -9.924 -30.440 -0.719 1.00 0.03 H HETATM 682 H12 THR A 18 -7.973 -31.739 -1.911 1.00 0.03 H HETATM 683 H13 THR A 18 -7.017 -30.262 -1.548 1.00 0.03 H HETATM 684 H10 THR A 18 -7.492 -30.462 0.811 1.00 0.03 H HETATM 685 H11 THR A 18 -8.626 -31.823 0.511 1.00 0.03 H HETATM 686 H9 THR A 18 -6.417 -32.898 -0.567 1.00 0.08 H HETATM 687 H8 THR A 18 -7.623 -33.070 2.061 1.00 0.19 H HETATM 688 CB THR A 18 -6.418 -34.577 4.075 1.00 -0.00 C HETATM 689 H5 THR A 18 -6.981 -33.632 4.064 1.00 0.03 H HETATM 690 H6 THR A 18 -5.349 -34.365 4.226 1.00 0.03 H HETATM 691 H7 THR A 18 -6.785 -35.213 4.894 1.00 0.03 H HETATM 692 H4 THR A 18 -7.684 -35.525 2.608 1.00 0.11 H HETATM 693 H1 THR A 18 -6.194 -37.156 3.454 1.00 0.20 H HETATM 694 H2 THR A 18 -4.897 -36.389 2.790 1.00 0.20 H HETATM 695 H3 THR A 18 -6.060 -37.032 1.819 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 550 551 693 694 695 CONECT 551 550 552 688 692 CONECT 552 551 553 554 CONECT 553 552 CONECT 554 552 555 687 CONECT 555 554 556 670 686 CONECT 556 555 557 558 CONECT 557 556 CONECT 558 556 559 669 CONECT 559 558 560 657 668 CONECT 560 559 561 562 CONECT 561 560 CONECT 562 560 563 656 CONECT 563 562 564 647 655 CONECT 564 563 565 566 CONECT 565 564 CONECT 566 564 567 646 CONECT 567 566 568 641 645 CONECT 568 567 569 570 CONECT 569 568 CONECT 570 568 571 640 CONECT 571 570 572 621 639 CONECT 572 571 573 574 CONECT 573 572 CONECT 574 572 575 620 CONECT 575 574 576 590 619 CONECT 576 575 577 578 CONECT 577 576 CONECT 578 576 579 589 CONECT 579 578 580 583 588 CONECT 580 579 581 582 CONECT 581 580 CONECT 582 580 CONECT 583 579 584 586 587 CONECT 584 583 585 CONECT 585 584 CONECT 586 583 CONECT 587 583 CONECT 588 579 CONECT 589 578 CONECT 590 575 591 617 618 CONECT 591 590 592 615 616 CONECT 592 591 593 613 614 CONECT 593 592 594 611 612 CONECT 594 593 595 609 610 CONECT 595 594 596 607 608 CONECT 596 595 597 601 CONECT 597 596 598 606 CONECT 598 597 599 605 CONECT 599 598 600 604 CONECT 600 599 601 603 CONECT 601 596 600 602 CONECT 602 601 CONECT 603 600 CONECT 604 599 CONECT 605 598 CONECT 606 597 CONECT 607 595 CONECT 608 595 CONECT 609 594 CONECT 610 594 CONECT 611 593 CONECT 612 593 CONECT 613 592 CONECT 614 592 CONECT 615 591 CONECT 616 591 CONECT 617 590 CONECT 618 590 CONECT 619 575 CONECT 620 574 CONECT 621 571 622 637 638 CONECT 622 621 623 635 636 CONECT 623 622 624 633 634 CONECT 624 623 625 632 CONECT 625 624 626 629 CONECT 626 625 627 628 CONECT 627 626 CONECT 628 626 CONECT 629 625 630 631 CONECT 630 629 CONECT 631 629 CONECT 632 624 CONECT 633 623 CONECT 634 623 CONECT 635 622 CONECT 636 622 CONECT 637 621 CONECT 638 621 CONECT 639 571 CONECT 640 570 CONECT 641 567 642 643 644 CONECT 642 641 CONECT 643 641 CONECT 644 641 CONECT 645 567 CONECT 646 566 CONECT 647 563 648 650 654 CONECT 648 647 649 CONECT 649 648 CONECT 650 647 651 652 653 CONECT 651 650 CONECT 652 650 CONECT 653 650 CONECT 654 647 CONECT 655 563 CONECT 656 562 CONECT 657 559 658 666 667 CONECT 658 657 659 664 665 CONECT 659 658 660 661 CONECT 660 659 CONECT 661 659 662 663 CONECT 662 661 CONECT 663 661 CONECT 664 658 CONECT 665 658 CONECT 666 657 CONECT 667 657 CONECT 668 559 CONECT 669 558 CONECT 670 555 671 684 685 CONECT 671 670 672 682 683 CONECT 672 671 673 680 681 CONECT 673 672 674 678 679 CONECT 674 673 675 676 677 CONECT 675 674 CONECT 676 674 CONECT 677 674 CONECT 678 673 CONECT 679 673 CONECT 680 672 CONECT 681 672 CONECT 682 671 CONECT 683 671 CONECT 684 670 CONECT 685 670 CONECT 686 555 CONECT 687 554 CONECT 688 551 689 690 691 CONECT 689 688 CONECT 690 688 CONECT 691 688 CONECT 692 551 CONECT 693 550 CONECT 694 550 CONECT 695 550 MASTER 0 0 0 0 0 0 0 0 694 1 150 5 END
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16-mer
4ue1
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
6d08
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Chromobox protein homolog 1
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=5.1uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Am.Chem.Soc. Vol. 141: pp. 15466-15470
Ligand Properties
Formula
C
4
3
H
7
8
N
1
4
O
1
2
Molecular Weight
983.166
Exact Mass
982.592
No. of atoms
147
No. of bonds
147
Polar Surface Area
462.45
LOGP Value
-4.28 (
Computed with XLOGP3
)
-4.93 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 43
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 1
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)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCCC[NH2+]Cc1ccccc1)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@@H]([NH3+])C
InChI String
InChI=1S/C43H74N14O12/c1-24(45)35(61)52-28(14-7-9-19-44)37(63)55-31(17-18-33(46)60)40(66)57-34(26(3)59)41(67)51-25(2)36(62)53-30(16-11-21-50-43(47)48)38(64)54-29(39(65)56-32(23-58)42(68)69)15-8-10-20-49-22-27-12-5-4-6-13-27/h4-6,12-13,24-26,28-32,34,49,58-59H,7-11,14-23,44-45H2,1-3H3,(H2,46,60)(H,51,67)(H,52,61)(H,53,62)(H,54,64)(H,55,63)(H,56,65)(H,57,66)(H,68,69)(H4,47,48,50)/p+4/t24-,25-,26+,28-,29-,30-,31-,32-,34-/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):
P83916
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
10951
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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