Browse entries in the PDBbind-CN Database
HEADER 6FHU_COMPLEX COMPND 6FHU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 52 VAL THR CYS LEU VAL CYS ARG LYS GLY ASP ASN ASP GLU SEQRES 2 A 52 PHE LEU LEU LEU CYS ASP GLY CYS ASP ARG GLY CYS HIS SEQRES 3 A 52 ILE TYR CYS HIS ARG PRO LYS MET GLU ALA VAL PRO GLU SEQRES 4 A 52 GLY ASP TRP PHE CYS THR VAL CYS LEU ALA GLN GLN VAL HET ZN A 1 1 HET ZN A 2 1 HET ALA A 102 42 ATOM 1 N VAL A1677 12.665 26.072 11.382 1.00 52.63 N ATOM 2 CA VAL A1677 12.480 26.778 12.694 1.00 50.01 C ATOM 3 C VAL A1677 11.030 27.217 12.942 1.00 47.09 C ATOM 4 O VAL A1677 10.356 27.742 12.064 1.00 47.17 O ATOM 5 CB VAL A1677 13.440 27.995 12.851 1.00 50.29 C ATOM 6 CG1 VAL A1677 13.155 28.782 14.134 1.00 48.28 C ATOM 7 CG2 VAL A1677 14.884 27.512 12.881 1.00 52.43 C ATOM 8 HN3 VAL A1677 12.390 26.708 10.606 1.00 0.00 H ATOM 9 HN2 VAL A1677 12.069 25.220 11.361 1.00 0.00 H ATOM 10 HN1 VAL A1677 13.663 25.801 11.273 1.00 0.00 H ATOM 11 N THR A1678 10.597 27.016 14.182 1.00 44.82 N ATOM 12 CA THR A1678 9.251 27.311 14.625 1.00 42.27 C ATOM 13 C THR A1678 9.292 28.106 15.945 1.00 38.25 C ATOM 14 O THR A1678 10.211 27.949 16.749 1.00 36.98 O ATOM 15 CB THR A1678 8.508 25.971 14.738 1.00 44.14 C ATOM 16 OG1 THR A1678 8.066 25.605 13.427 1.00 46.61 O ATOM 17 CG2 THR A1678 7.314 26.028 15.649 1.00 44.18 C ATOM 18 HG1 THR A1678 7.583 24.742 13.472 1.00 0.00 H ATOM 19 H THR A1678 11.265 26.623 14.876 1.00 0.00 H ATOM 20 N CYS A1679 8.294 28.964 16.136 1.00 35.60 N ATOM 21 CA CYS A1679 8.169 29.788 17.339 1.00 33.31 C ATOM 22 C CYS A1679 7.668 28.978 18.562 1.00 32.59 C ATOM 23 O CYS A1679 6.651 28.295 18.499 1.00 33.56 O ATOM 24 CB CYS A1679 7.243 30.985 17.040 1.00 32.22 C ATOM 25 SG CYS A1679 6.766 32.044 18.439 1.00 28.80 S ATOM 26 H CYS A1679 7.569 29.054 15.396 1.00 0.00 H ATOM 27 N LEU A1680 8.397 29.066 19.665 1.00 31.78 N ATOM 28 CA LEU A1680 8.028 28.365 20.907 1.00 31.63 C ATOM 29 C LEU A1680 6.649 28.735 21.452 1.00 31.58 C ATOM 30 O LEU A1680 5.968 27.892 22.023 1.00 32.95 O ATOM 31 CB LEU A1680 9.065 28.633 22.005 1.00 30.85 C ATOM 32 CG LEU A1680 10.471 28.057 21.838 1.00 31.56 C ATOM 33 CD1 LEU A1680 11.432 28.598 22.896 1.00 30.69 C ATOM 34 CD2 LEU A1680 10.434 26.538 21.896 1.00 32.60 C ATOM 35 H LEU A1680 9.258 29.649 19.654 1.00 0.00 H ATOM 36 N VAL A1681 6.240 29.986 21.292 1.00 30.27 N ATOM 37 CA VAL A1681 4.956 30.441 21.825 1.00 31.52 C ATOM 38 C VAL A1681 3.773 29.984 20.948 1.00 33.06 C ATOM 39 O VAL A1681 2.916 29.242 21.406 1.00 33.52 O ATOM 40 CB VAL A1681 4.935 31.981 21.985 1.00 30.41 C ATOM 41 CG1 VAL A1681 3.590 32.465 22.530 1.00 31.18 C ATOM 42 CG2 VAL A1681 6.101 32.429 22.868 1.00 29.82 C ATOM 43 H VAL A1681 6.844 30.658 20.777 1.00 0.00 H ATOM 44 N CYS A1682 3.732 30.443 19.700 1.00 34.20 N ATOM 45 CA CYS A1682 2.594 30.184 18.794 1.00 36.80 C ATOM 46 C CYS A1682 2.754 28.956 17.881 1.00 40.13 C ATOM 47 O CYS A1682 1.815 28.627 17.167 1.00 41.37 O ATOM 48 CB CYS A1682 2.324 31.410 17.922 1.00 36.19 C ATOM 49 SG CYS A1682 3.531 31.673 16.595 1.00 34.96 S ATOM 50 H CYS A1682 4.532 31.006 19.348 1.00 0.00 H ATOM 51 N ARG A1683 3.927 28.308 17.874 1.00 42.75 N ATOM 52 CA ARG A1683 4.159 27.070 17.097 1.00 47.01 C ATOM 53 C ARG A1683 4.112 27.230 15.551 1.00 47.40 C ATOM 54 O ARG A1683 4.041 26.234 14.832 1.00 48.13 O ATOM 55 CB ARG A1683 3.188 25.942 17.537 1.00 51.79 C ATOM 56 CG ARG A1683 3.211 25.605 19.024 1.00 54.15 C ATOM 57 CD ARG A1683 4.364 24.675 19.383 1.00 57.30 C ATOM 58 NE ARG A1683 5.068 25.118 20.592 1.00 59.19 N ATOM 59 CZ ARG A1683 6.236 24.630 21.037 1.00 61.12 C ATOM 60 NH1 ARG A1683 6.869 23.640 20.396 1.00 63.30 N ATOM 61 NH2 ARG A1683 6.783 25.139 22.146 1.00 58.93 N ATOM 62 HE ARG A1683 4.624 25.874 21.151 1.00 0.00 H ATOM 63 HH12 ARG A1683 7.773 23.279 20.761 1.00 0.00 H ATOM 64 HH11 ARG A1683 6.456 23.232 19.533 1.00 0.00 H ATOM 65 HH22 ARG A1683 7.688 24.766 22.498 1.00 0.00 H ATOM 66 HH21 ARG A1683 6.303 25.907 22.657 1.00 0.00 H ATOM 67 H ARG A1683 4.710 28.693 18.440 1.00 0.00 H ATOM 68 N LYS A1684 4.182 28.458 15.043 1.00 45.60 N ATOM 69 CA LYS A1684 4.213 28.695 13.601 1.00 46.83 C ATOM 70 C LYS A1684 5.593 29.192 13.193 1.00 45.03 C ATOM 71 O LYS A1684 6.349 29.710 14.016 1.00 41.48 O ATOM 72 CB LYS A1684 3.149 29.708 13.188 1.00 47.46 C ATOM 73 CG LYS A1684 1.748 29.363 13.665 1.00 49.50 C ATOM 74 CD LYS A1684 0.735 30.388 13.183 1.00 50.65 C ATOM 75 CE LYS A1684 -0.670 30.045 13.654 1.00 53.02 C ATOM 76 NZ LYS A1684 -1.704 30.998 13.142 1.00 54.36 N ATOM 77 HZ1 LYS A1684 -1.483 31.958 13.474 1.00 0.00 H ATOM 78 HZ2 LYS A1684 -1.705 30.981 12.102 1.00 0.00 H ATOM 79 HZ3 LYS A1684 -2.640 30.714 13.495 1.00 0.00 H ATOM 80 H LYS A1684 4.216 29.272 15.690 1.00 0.00 H ATOM 81 N GLY A1685 5.904 29.010 11.911 1.00 46.04 N ATOM 82 CA GLY A1685 7.179 29.413 11.318 1.00 45.73 C ATOM 83 C GLY A1685 7.046 30.503 10.262 1.00 45.93 C ATOM 84 O GLY A1685 7.997 30.753 9.516 1.00 46.35 O ATOM 85 H GLY A1685 5.200 28.555 11.296 1.00 0.00 H ATOM 86 N ASP A1686 5.882 31.149 10.194 1.00 45.26 N ATOM 87 CA ASP A1686 5.653 32.268 9.258 1.00 46.30 C ATOM 88 C ASP A1686 6.352 33.563 9.717 1.00 43.79 C ATOM 89 O ASP A1686 6.850 33.640 10.841 1.00 42.28 O ATOM 90 CB ASP A1686 4.144 32.497 9.006 1.00 47.33 C ATOM 91 CG ASP A1686 3.330 32.718 10.286 1.00 47.25 C ATOM 92 OD1 ASP A1686 3.903 32.801 11.398 1.00 46.78 O ATOM 93 OD2 ASP A1686 2.088 32.805 10.175 1.00 49.24 O ATOM 94 H ASP A1686 5.108 30.854 10.823 1.00 0.00 H ATOM 95 N ASN A1687 6.394 34.552 8.822 1.00 43.71 N ATOM 96 CA ASN A1687 6.987 35.881 9.056 1.00 42.23 C ATOM 97 C ASN A1687 8.417 35.794 9.580 1.00 42.48 C ATOM 98 O ASN A1687 8.765 36.355 10.635 1.00 40.23 O ATOM 99 CB ASN A1687 6.102 36.692 10.007 1.00 40.53 C ATOM 100 CG ASN A1687 4.742 36.997 9.419 1.00 40.75 C ATOM 101 OD1 ASN A1687 3.717 36.901 10.100 1.00 40.14 O ATOM 102 ND2 ASN A1687 4.728 37.399 8.157 1.00 42.45 N ATOM 103 HD22 ASN A1687 5.618 37.464 7.622 1.00 0.00 H ATOM 104 HD21 ASN A1687 3.827 37.649 7.701 1.00 0.00 H ATOM 105 H ASN A1687 5.976 34.371 7.887 1.00 0.00 H ATOM 106 N ASP A1688 9.238 35.070 8.837 1.00 42.97 N ATOM 107 CA ASP A1688 10.572 34.707 9.313 1.00 44.16 C ATOM 108 C ASP A1688 11.533 35.889 9.572 1.00 42.56 C ATOM 109 O ASP A1688 12.475 35.725 10.352 1.00 40.49 O ATOM 110 CB ASP A1688 11.218 33.665 8.388 1.00 48.11 C ATOM 111 CG ASP A1688 11.228 34.109 6.949 1.00 52.05 C ATOM 112 OD1 ASP A1688 10.114 34.344 6.378 1.00 53.65 O ATOM 113 OD2 ASP A1688 12.343 34.248 6.408 1.00 56.18 O ATOM 114 H ASP A1688 8.929 34.753 7.896 1.00 0.00 H ATOM 115 N GLU A1689 11.287 37.069 8.983 1.00 41.86 N ATOM 116 CA GLU A1689 12.092 38.262 9.328 1.00 41.83 C ATOM 117 C GLU A1689 11.820 38.748 10.765 1.00 38.35 C ATOM 118 O GLU A1689 12.608 39.527 11.294 1.00 38.38 O ATOM 119 CB GLU A1689 11.866 39.452 8.379 1.00 43.97 C ATOM 120 CG GLU A1689 12.148 39.207 6.904 1.00 47.56 C ATOM 121 CD GLU A1689 10.930 38.712 6.144 1.00 49.11 C ATOM 122 OE1 GLU A1689 9.927 38.283 6.777 1.00 48.54 O ATOM 123 OE2 GLU A1689 10.986 38.736 4.898 1.00 53.47 O ATOM 124 H GLU A1689 10.525 37.146 8.279 1.00 0.00 H ATOM 125 N PHE A1690 10.701 38.320 11.364 1.00 35.48 N ATOM 126 CA PHE A1690 10.368 38.610 12.776 1.00 33.17 C ATOM 127 C PHE A1690 10.772 37.492 13.768 1.00 33.44 C ATOM 128 O PHE A1690 10.578 37.630 14.993 1.00 31.08 O ATOM 129 CB PHE A1690 8.865 38.897 12.897 1.00 31.15 C ATOM 130 CG PHE A1690 8.448 40.194 12.275 1.00 30.97 C ATOM 131 CD1 PHE A1690 8.101 40.262 10.926 1.00 31.73 C ATOM 132 CD2 PHE A1690 8.388 41.360 13.039 1.00 29.95 C ATOM 133 CE1 PHE A1690 7.720 41.463 10.351 1.00 31.62 C ATOM 134 CE2 PHE A1690 8.004 42.572 12.464 1.00 30.01 C ATOM 135 CZ PHE A1690 7.674 42.622 11.121 1.00 30.95 C ATOM 136 H PHE A1690 10.030 37.753 10.807 1.00 0.00 H ATOM 137 N LEU A1691 11.355 36.410 13.246 1.00 35.07 N ATOM 138 CA LEU A1691 11.533 35.158 13.983 1.00 35.90 C ATOM 139 C LEU A1691 12.971 35.024 14.459 1.00 37.53 C ATOM 140 O LEU A1691 13.860 34.711 13.645 1.00 38.61 O ATOM 141 CB LEU A1691 11.171 33.981 13.066 1.00 37.47 C ATOM 142 CG LEU A1691 11.221 32.562 13.602 1.00 38.29 C ATOM 143 CD1 LEU A1691 10.277 32.388 14.786 1.00 37.26 C ATOM 144 CD2 LEU A1691 10.868 31.578 12.492 1.00 41.19 C ATOM 145 H LEU A1691 11.700 36.459 12.266 1.00 0.00 H ATOM 146 N LEU A1692 13.199 35.269 15.759 1.00 36.56 N ATOM 147 CA LEU A1692 14.514 35.091 16.395 1.00 37.86 C ATOM 148 C LEU A1692 14.937 33.637 16.408 1.00 38.83 C ATOM 149 O LEU A1692 14.107 32.761 16.620 1.00 38.16 O ATOM 150 CB LEU A1692 14.513 35.528 17.859 1.00 37.32 C ATOM 151 CG LEU A1692 14.179 36.959 18.223 1.00 37.93 C ATOM 152 CD1 LEU A1692 14.262 37.106 19.731 1.00 38.03 C ATOM 153 CD2 LEU A1692 15.107 37.953 17.549 1.00 39.70 C ATOM 154 H LEU A1692 12.407 35.601 16.346 1.00 0.00 H ATOM 155 N LEU A1693 16.236 33.405 16.212 1.00 40.12 N ATOM 156 CA LEU A1693 16.836 32.075 16.298 1.00 41.44 C ATOM 157 C LEU A1693 17.780 32.074 17.507 1.00 40.46 C ATOM 158 O LEU A1693 18.587 32.999 17.678 1.00 39.41 O ATOM 159 CB LEU A1693 17.593 31.741 15.007 1.00 45.15 C ATOM 160 CG LEU A1693 16.871 32.042 13.679 1.00 47.28 C ATOM 161 CD1 LEU A1693 17.724 31.656 12.464 1.00 50.85 C ATOM 162 CD2 LEU A1693 15.530 31.335 13.607 1.00 47.06 C ATOM 163 H LEU A1693 16.853 34.211 15.987 1.00 0.00 H ATOM 164 N CYS A1694 17.652 31.057 18.360 1.00 38.73 N ATOM 165 CA CYS A1694 18.442 30.969 19.594 1.00 37.78 C ATOM 166 C CYS A1694 19.907 30.692 19.264 1.00 39.82 C ATOM 167 O CYS A1694 20.194 29.801 18.468 1.00 40.48 O ATOM 168 CB CYS A1694 17.903 29.855 20.514 1.00 36.13 C ATOM 169 SG CYS A1694 18.862 29.633 22.034 1.00 35.17 S ATOM 170 H CYS A1694 16.970 30.302 18.144 1.00 0.00 H ATOM 171 N ASP A1695 20.823 31.426 19.900 1.00 40.38 N ATOM 172 CA ASP A1695 22.274 31.188 19.723 1.00 42.72 C ATOM 173 C ASP A1695 22.824 29.956 20.480 1.00 42.93 C ATOM 174 O ASP A1695 23.986 29.603 20.301 1.00 45.06 O ATOM 175 CB ASP A1695 23.079 32.448 20.082 1.00 43.84 C ATOM 176 CG ASP A1695 22.862 33.597 19.087 1.00 45.31 C ATOM 177 OD1 ASP A1695 23.063 33.404 17.867 1.00 46.55 O ATOM 178 OD2 ASP A1695 22.477 34.704 19.520 1.00 45.68 O ATOM 179 H ASP A1695 20.509 32.186 20.537 1.00 0.00 H ATOM 180 N GLY A1696 22.002 29.290 21.298 1.00 41.18 N ATOM 181 CA GLY A1696 22.407 28.069 22.001 1.00 41.24 C ATOM 182 C GLY A1696 21.792 26.746 21.543 1.00 41.80 C ATOM 183 O GLY A1696 22.246 25.677 21.980 1.00 42.03 O ATOM 184 H GLY A1696 21.038 29.652 21.441 1.00 0.00 H ATOM 185 N CYS A1697 20.769 26.802 20.683 1.00 40.70 N ATOM 186 CA CYS A1697 20.044 25.609 20.232 1.00 41.04 C ATOM 187 C CYS A1697 19.317 25.932 18.930 1.00 42.46 C ATOM 188 O CYS A1697 19.525 27.003 18.354 1.00 41.96 O ATOM 189 CB CYS A1697 19.067 25.138 21.326 1.00 39.59 C ATOM 190 SG CYS A1697 17.527 26.086 21.568 1.00 37.15 S ATOM 191 H CYS A1697 20.475 27.731 20.319 1.00 0.00 H ATOM 192 N ASP A1698 18.452 25.033 18.471 1.00 44.48 N ATOM 193 CA ASP A1698 17.719 25.243 17.207 1.00 46.96 C ATOM 194 C ASP A1698 16.332 25.921 17.351 1.00 44.01 C ATOM 195 O ASP A1698 15.580 25.974 16.384 1.00 43.97 O ATOM 196 CB ASP A1698 17.609 23.910 16.443 1.00 52.11 C ATOM 197 CG ASP A1698 16.652 22.908 17.111 1.00 54.46 C ATOM 198 OD1 ASP A1698 16.511 22.910 18.369 1.00 54.43 O ATOM 199 OD2 ASP A1698 16.043 22.108 16.361 1.00 59.23 O ATOM 200 H ASP A1698 18.288 24.162 19.015 1.00 0.00 H ATOM 201 N ARG A1699 16.028 26.490 18.523 1.00 40.29 N ATOM 202 CA ARG A1699 14.682 26.998 18.815 1.00 38.06 C ATOM 203 C ARG A1699 14.530 28.451 18.373 1.00 36.60 C ATOM 204 O ARG A1699 15.520 29.132 18.076 1.00 37.15 O ATOM 205 CB ARG A1699 14.366 26.877 20.305 1.00 36.97 C ATOM 206 CG ARG A1699 14.035 25.465 20.761 1.00 37.61 C ATOM 207 CD ARG A1699 14.122 25.352 22.276 1.00 36.95 C ATOM 208 NE ARG A1699 13.934 23.977 22.737 1.00 37.75 N ATOM 209 CZ ARG A1699 14.904 23.093 22.973 1.00 38.21 C ATOM 210 NH1 ARG A1699 16.193 23.395 22.823 1.00 37.86 N ATOM 211 NH2 ARG A1699 14.575 21.876 23.376 1.00 39.58 N ATOM 212 HE ARG A1699 12.956 23.660 22.895 1.00 0.00 H ATOM 213 HH12 ARG A1699 16.921 22.678 23.017 1.00 0.00 H ATOM 214 HH11 ARG A1699 16.471 24.348 22.512 1.00 0.00 H ATOM 215 HH22 ARG A1699 15.317 21.172 23.565 1.00 0.00 H ATOM 216 HH21 ARG A1699 13.574 21.623 23.503 1.00 0.00 H ATOM 217 H ARG A1699 16.768 26.575 19.249 1.00 0.00 H ATOM 218 N GLY A1700 13.287 28.926 18.344 1.00 34.59 N ATOM 219 CA GLY A1700 13.004 30.287 17.907 1.00 32.92 C ATOM 220 C GLY A1700 11.816 30.928 18.583 1.00 30.11 C ATOM 221 O GLY A1700 11.081 30.259 19.325 1.00 29.58 O ATOM 222 H GLY A1700 12.501 28.313 18.640 1.00 0.00 H ATOM 223 N CYS A1701 11.629 32.223 18.313 1.00 27.43 N ATOM 224 CA CYS A1701 10.497 32.979 18.856 1.00 25.74 C ATOM 225 C CYS A1701 10.258 34.271 18.071 1.00 25.35 C ATOM 226 O CYS A1701 11.192 35.039 17.866 1.00 24.76 O ATOM 227 CB CYS A1701 10.754 33.323 20.335 1.00 24.73 C ATOM 228 SG CYS A1701 9.392 34.125 21.213 1.00 23.71 S ATOM 229 H CYS A1701 12.310 32.711 17.697 1.00 0.00 H ATOM 230 N HIS A1702 9.012 34.501 17.642 1.00 25.39 N ATOM 231 CA HIS A1702 8.612 35.776 17.014 1.00 25.67 C ATOM 232 C HIS A1702 8.813 36.906 18.011 1.00 24.17 C ATOM 233 O HIS A1702 8.472 36.746 19.184 1.00 22.71 O ATOM 234 CB HIS A1702 7.135 35.766 16.611 1.00 26.95 C ATOM 235 CG HIS A1702 6.806 34.804 15.518 1.00 29.68 C ATOM 236 ND1 HIS A1702 6.003 33.702 15.719 1.00 31.08 N ATOM 237 CD2 HIS A1702 7.155 34.786 14.206 1.00 31.31 C ATOM 238 CE1 HIS A1702 5.886 33.035 14.579 1.00 33.01 C ATOM 239 NE2 HIS A1702 6.576 33.670 13.646 1.00 32.42 N ATOM 240 H HIS A1702 8.298 33.753 17.755 1.00 0.00 H ATOM 241 N ILE A1703 9.350 38.044 17.568 1.00 23.72 N ATOM 242 CA ILE A1703 9.535 39.173 18.480 1.00 23.39 C ATOM 243 C ILE A1703 8.183 39.627 19.022 1.00 22.78 C ATOM 244 O ILE A1703 8.082 40.018 20.183 1.00 22.61 O ATOM 245 CB ILE A1703 10.343 40.354 17.890 1.00 24.09 C ATOM 246 CG1 ILE A1703 9.617 41.038 16.726 1.00 25.16 C ATOM 247 CG2 ILE A1703 11.740 39.904 17.470 1.00 24.79 C ATOM 248 CD1 ILE A1703 10.389 42.235 16.202 1.00 26.35 C ATOM 249 H ILE A1703 9.638 38.129 16.572 1.00 0.00 H ATOM 250 N TYR A1704 7.148 39.503 18.197 1.00 22.82 N ATOM 251 CA TYR A1704 5.775 39.883 18.587 1.00 22.94 C ATOM 252 C TYR A1704 5.072 38.907 19.538 1.00 22.71 C ATOM 253 O TYR A1704 4.091 39.277 20.162 1.00 22.57 O ATOM 254 CB TYR A1704 4.896 40.182 17.345 1.00 23.79 C ATOM 255 CG TYR A1704 4.811 39.107 16.258 1.00 24.23 C ATOM 256 CD1 TYR A1704 3.987 38.004 16.397 1.00 24.76 C ATOM 257 CD2 TYR A1704 5.527 39.246 15.059 1.00 25.23 C ATOM 258 CE1 TYR A1704 3.901 37.037 15.391 1.00 26.06 C ATOM 259 CE2 TYR A1704 5.441 38.302 14.037 1.00 26.12 C ATOM 260 CZ TYR A1704 4.619 37.201 14.196 1.00 26.71 C ATOM 261 OH TYR A1704 4.555 36.256 13.182 1.00 28.22 O ATOM 262 HH TYR A1704 3.929 35.535 13.443 1.00 0.00 H ATOM 263 H TYR A1704 7.311 39.125 17.242 1.00 0.00 H ATOM 264 N CYS A1705 5.581 37.683 19.661 1.00 22.85 N ATOM 265 CA CYS A1705 5.099 36.733 20.677 1.00 23.82 C ATOM 266 C CYS A1705 5.841 36.824 22.014 1.00 22.72 C ATOM 267 O CYS A1705 5.351 36.294 23.005 1.00 22.61 O ATOM 268 CB CYS A1705 5.182 35.288 20.148 1.00 25.39 C ATOM 269 SG CYS A1705 4.155 35.005 18.690 1.00 26.95 S ATOM 270 H CYS A1705 6.344 37.388 19.018 1.00 0.00 H ATOM 271 N HIS A1706 7.001 37.491 22.042 1.00 21.93 N ATOM 272 CA HIS A1706 7.817 37.625 23.272 1.00 21.40 C ATOM 273 C HIS A1706 7.128 38.522 24.308 1.00 21.60 C ATOM 274 O HIS A1706 6.524 39.522 23.946 1.00 21.36 O ATOM 275 CB HIS A1706 9.214 38.197 22.937 1.00 21.77 C ATOM 276 CG HIS A1706 10.271 37.901 23.968 1.00 22.13 C ATOM 277 ND1 HIS A1706 10.424 38.648 25.122 1.00 23.03 N ATOM 278 CD2 HIS A1706 11.249 36.960 24.002 1.00 22.37 C ATOM 279 CE1 HIS A1706 11.440 38.173 25.824 1.00 23.21 C ATOM 280 NE2 HIS A1706 11.955 37.143 25.173 1.00 22.78 N ATOM 281 H HIS A1706 7.344 37.933 21.165 1.00 0.00 H ATOM 282 N ARG A1707 7.192 38.133 25.584 1.00 21.15 N ATOM 283 CA ARG A1707 6.734 38.955 26.715 1.00 21.94 C ATOM 284 C ARG A1707 7.840 38.805 27.785 1.00 22.23 C ATOM 285 O ARG A1707 8.147 37.679 28.181 1.00 20.99 O ATOM 286 CB ARG A1707 5.383 38.475 27.288 1.00 22.65 C ATOM 287 CG ARG A1707 4.182 38.504 26.323 1.00 22.93 C ATOM 288 CD ARG A1707 3.771 39.908 25.904 1.00 23.24 C ATOM 289 NE ARG A1707 2.583 39.931 25.041 1.00 24.09 N ATOM 290 CZ ARG A1707 2.547 39.764 23.708 1.00 23.67 C ATOM 291 NH1 ARG A1707 3.644 39.546 22.981 1.00 22.89 N ATOM 292 NH2 ARG A1707 1.377 39.818 23.079 1.00 24.61 N ATOM 293 HE ARG A1707 1.671 40.094 25.513 1.00 0.00 H ATOM 294 HH12 ARG A1707 3.569 39.422 21.951 1.00 0.00 H ATOM 295 HH11 ARG A1707 4.574 39.500 23.444 1.00 0.00 H ATOM 296 HH22 ARG A1707 1.335 39.690 22.048 1.00 0.00 H ATOM 297 HH21 ARG A1707 0.504 39.988 23.618 1.00 0.00 H ATOM 298 H ARG A1707 7.589 37.194 25.790 1.00 0.00 H ATOM 299 N PRO A1708 8.472 39.892 28.242 1.00 23.37 N ATOM 300 CA PRO A1708 8.116 41.283 27.954 1.00 24.40 C ATOM 301 C PRO A1708 8.328 41.731 26.514 1.00 23.99 C ATOM 302 O PRO A1708 8.966 41.027 25.734 1.00 22.82 O ATOM 303 CB PRO A1708 9.031 42.096 28.893 1.00 25.31 C ATOM 304 CG PRO A1708 9.742 41.102 29.733 1.00 25.36 C ATOM 305 CD PRO A1708 9.682 39.781 29.070 1.00 23.83 C ATOM 306 N LYS A1709 7.764 42.889 26.194 1.00 25.57 N ATOM 307 CA LYS A1709 7.712 43.403 24.816 1.00 26.39 C ATOM 308 C LYS A1709 9.087 43.492 24.178 1.00 26.47 C ATOM 309 O LYS A1709 10.033 43.949 24.810 1.00 26.56 O ATOM 310 CB LYS A1709 7.089 44.807 24.773 1.00 27.96 C ATOM 311 CG LYS A1709 7.013 45.445 23.372 1.00 28.46 C ATOM 312 CD LYS A1709 6.391 46.833 23.376 1.00 30.18 C ATOM 313 CE LYS A1709 7.336 47.857 23.988 1.00 32.59 C ATOM 314 NZ LYS A1709 6.783 49.244 23.971 1.00 34.81 N ATOM 315 HZ1 LYS A1709 6.599 49.530 22.988 1.00 0.00 H ATOM 316 HZ2 LYS A1709 5.895 49.269 24.513 1.00 0.00 H ATOM 317 HZ3 LYS A1709 7.471 49.895 24.400 1.00 0.00 H ATOM 318 H LYS A1709 7.339 43.460 26.952 1.00 0.00 H ATOM 319 N MET A1710 9.158 43.081 22.921 1.00 26.88 N ATOM 320 CA MET A1710 10.375 43.147 22.136 1.00 28.75 C ATOM 321 C MET A1710 10.022 43.842 20.824 1.00 29.49 C ATOM 322 O MET A1710 9.354 43.258 19.977 1.00 28.57 O ATOM 323 CB MET A1710 10.910 41.743 21.897 1.00 29.27 C ATOM 324 CG MET A1710 12.313 41.719 21.342 1.00 31.34 C ATOM 325 SD MET A1710 12.967 40.058 21.087 1.00 33.30 S ATOM 326 CE MET A1710 13.565 39.631 22.719 1.00 31.76 C ATOM 327 H MET A1710 8.301 42.693 22.477 1.00 0.00 H ATOM 328 N GLU A1711 10.463 45.088 20.678 1.00 31.21 N ATOM 329 CA GLU A1711 10.120 45.929 19.522 1.00 32.71 C ATOM 330 C GLU A1711 10.879 45.592 18.261 1.00 32.08 C ATOM 331 O GLU A1711 10.426 45.914 17.187 1.00 30.84 O ATOM 332 CB GLU A1711 10.442 47.397 19.813 1.00 36.32 C ATOM 333 CG GLU A1711 9.325 48.185 20.447 1.00 38.58 C ATOM 334 CD GLU A1711 9.718 49.639 20.692 1.00 41.99 C ATOM 335 OE1 GLU A1711 10.913 49.938 20.971 1.00 45.07 O ATOM 336 OE2 GLU A1711 8.816 50.489 20.606 1.00 44.80 O ATOM 337 H GLU A1711 11.079 45.486 21.416 1.00 0.00 H ATOM 338 N ALA A1712 12.075 45.038 18.402 1.00 32.07 N ATOM 339 CA ALA A1712 12.961 44.804 17.266 1.00 32.65 C ATOM 340 C ALA A1712 13.881 43.613 17.539 1.00 32.74 C ATOM 341 O ALA A1712 14.001 43.145 18.675 1.00 30.35 O ATOM 342 CB ALA A1712 13.774 46.054 16.981 1.00 34.42 C ATOM 343 H ALA A1712 12.392 44.761 19.353 1.00 0.00 H ATOM 344 N VAL A1713 14.523 43.131 16.478 1.00 34.22 N ATOM 345 CA VAL A1713 15.439 42.007 16.565 1.00 35.35 C ATOM 346 C VAL A1713 16.715 42.577 17.177 1.00 37.76 C ATOM 347 O VAL A1713 17.259 43.522 16.626 1.00 38.65 O ATOM 348 CB VAL A1713 15.749 41.440 15.160 1.00 36.82 C ATOM 349 CG1 VAL A1713 16.820 40.357 15.221 1.00 37.78 C ATOM 350 CG2 VAL A1713 14.480 40.896 14.508 1.00 36.54 C ATOM 351 H VAL A1713 14.363 43.576 15.552 1.00 0.00 H ATOM 352 N PRO A1714 17.187 42.027 18.319 1.00 38.77 N ATOM 353 CA PRO A1714 18.381 42.607 18.977 1.00 41.26 C ATOM 354 C PRO A1714 19.689 42.338 18.235 1.00 44.47 C ATOM 355 O PRO A1714 19.804 41.328 17.542 1.00 44.18 O ATOM 356 CB PRO A1714 18.399 41.939 20.361 1.00 40.28 C ATOM 357 CG PRO A1714 17.566 40.717 20.225 1.00 37.98 C ATOM 358 CD PRO A1714 16.590 40.932 19.108 1.00 37.27 C ATOM 359 N GLU A1715 20.649 43.247 18.407 1.00 48.10 N ATOM 360 CA GLU A1715 21.963 43.182 17.745 1.00 52.17 C ATOM 361 C GLU A1715 22.864 42.065 18.254 1.00 52.62 C ATOM 362 O GLU A1715 23.640 41.502 17.487 1.00 55.66 O ATOM 363 CB GLU A1715 22.725 44.509 17.913 1.00 56.09 C ATOM 364 CG GLU A1715 22.226 45.648 17.034 1.00 58.34 C ATOM 365 CD GLU A1715 22.631 45.508 15.572 1.00 61.71 C ATOM 366 OE1 GLU A1715 23.746 44.999 15.293 1.00 65.04 O ATOM 367 OE2 GLU A1715 21.840 45.922 14.695 1.00 61.84 O ATOM 368 H GLU A1715 20.459 44.047 19.044 1.00 0.00 H ATOM 369 N GLY A1716 22.787 41.771 19.544 1.00 51.16 N ATOM 370 CA GLY A1716 23.688 40.805 20.172 1.00 51.99 C ATOM 371 C GLY A1716 23.089 39.415 20.232 1.00 50.02 C ATOM 372 O GLY A1716 22.241 39.056 19.423 1.00 49.16 O ATOM 373 H GLY A1716 22.065 42.241 20.127 1.00 0.00 H ATOM 374 N ASP A1717 23.538 38.634 21.205 1.00 49.82 N ATOM 375 CA ASP A1717 23.099 37.248 21.343 1.00 47.89 C ATOM 376 C ASP A1717 21.757 37.151 22.032 1.00 44.33 C ATOM 377 O ASP A1717 21.466 37.938 22.936 1.00 43.86 O ATOM 378 CB ASP A1717 24.127 36.420 22.124 1.00 48.96 C ATOM 379 CG ASP A1717 25.427 36.223 21.362 1.00 51.34 C ATOM 380 OD1 ASP A1717 25.419 36.323 20.114 1.00 52.06 O ATOM 381 OD2 ASP A1717 26.456 35.956 22.022 1.00 51.85 O ATOM 382 H ASP A1717 24.221 39.019 21.888 1.00 0.00 H ATOM 383 N TRP A1718 20.946 36.184 21.594 1.00 41.94 N ATOM 384 CA TRP A1718 19.664 35.862 22.242 1.00 38.24 C ATOM 385 C TRP A1718 19.586 34.356 22.560 1.00 37.29 C ATOM 386 O TRP A1718 19.854 33.504 21.698 1.00 37.07 O ATOM 387 CB TRP A1718 18.458 36.304 21.392 1.00 36.58 C ATOM 388 CG TRP A1718 17.142 35.938 22.047 1.00 34.35 C ATOM 389 CD1 TRP A1718 16.547 36.579 23.082 1.00 33.47 C ATOM 390 CD2 TRP A1718 16.296 34.822 21.725 1.00 33.20 C ATOM 391 NE1 TRP A1718 15.369 35.947 23.423 1.00 32.81 N ATOM 392 CE2 TRP A1718 15.201 34.857 22.613 1.00 32.71 C ATOM 393 CE3 TRP A1718 16.354 33.802 20.770 1.00 33.80 C ATOM 394 CZ2 TRP A1718 14.177 33.901 22.581 1.00 31.75 C ATOM 395 CZ3 TRP A1718 15.334 32.852 20.736 1.00 32.80 C ATOM 396 CH2 TRP A1718 14.264 32.911 21.633 1.00 32.32 C ATOM 397 HE1 TRP A1718 14.715 36.250 24.173 1.00 0.00 H ATOM 398 H TRP A1718 21.233 35.635 20.759 1.00 0.00 H ATOM 399 N PHE A1719 19.195 34.058 23.803 1.00 36.29 N ATOM 400 CA PHE A1719 19.039 32.698 24.290 1.00 35.65 C ATOM 401 C PHE A1719 17.612 32.453 24.686 1.00 33.26 C ATOM 402 O PHE A1719 17.031 33.232 25.439 1.00 32.86 O ATOM 403 CB PHE A1719 19.965 32.443 25.479 1.00 37.62 C ATOM 404 CG PHE A1719 21.410 32.428 25.097 1.00 39.79 C ATOM 405 CD1 PHE A1719 21.967 31.298 24.514 1.00 41.19 C ATOM 406 CD2 PHE A1719 22.206 33.560 25.268 1.00 41.56 C ATOM 407 CE1 PHE A1719 23.308 31.282 24.131 1.00 43.52 C ATOM 408 CE2 PHE A1719 23.539 33.554 24.886 1.00 43.42 C ATOM 409 CZ PHE A1719 24.091 32.415 24.314 1.00 44.60 C ATOM 410 H PHE A1719 18.992 34.841 24.456 1.00 0.00 H ATOM 411 N CYS A1720 17.049 31.362 24.177 1.00 32.35 N ATOM 412 CA CYS A1720 15.723 30.914 24.589 1.00 31.15 C ATOM 413 C CYS A1720 15.706 30.451 26.070 1.00 31.00 C ATOM 414 O CYS A1720 16.755 30.289 26.716 1.00 29.84 O ATOM 415 CB CYS A1720 15.222 29.779 23.691 1.00 31.75 C ATOM 416 SG CYS A1720 15.900 28.155 24.113 1.00 32.39 S ATOM 417 H CYS A1720 17.569 30.811 23.464 1.00 0.00 H ATOM 418 N THR A1721 14.499 30.215 26.577 1.00 30.46 N ATOM 419 CA THR A1721 14.279 29.855 27.980 1.00 30.72 C ATOM 420 C THR A1721 14.820 28.477 28.367 1.00 31.44 C ATOM 421 O THR A1721 15.143 28.227 29.535 1.00 31.65 O ATOM 422 CB THR A1721 12.785 29.935 28.303 1.00 30.71 C ATOM 423 OG1 THR A1721 12.042 29.239 27.299 1.00 30.58 O ATOM 424 CG2 THR A1721 12.339 31.393 28.311 1.00 30.63 C ATOM 425 HG1 THR A1721 11.076 29.292 27.509 1.00 0.00 H ATOM 426 H THR A1721 13.674 30.289 25.949 1.00 0.00 H ATOM 427 N VAL A1722 14.930 27.585 27.393 1.00 31.76 N ATOM 428 CA VAL A1722 15.499 26.256 27.632 1.00 32.72 C ATOM 429 C VAL A1722 17.028 26.359 27.821 1.00 32.72 C ATOM 430 O VAL A1722 17.592 25.733 28.728 1.00 32.82 O ATOM 431 CB VAL A1722 15.149 25.274 26.486 1.00 34.01 C ATOM 432 CG1 VAL A1722 15.780 23.910 26.749 1.00 35.39 C ATOM 433 CG2 VAL A1722 13.632 25.157 26.311 1.00 33.61 C ATOM 434 H VAL A1722 14.605 27.834 26.437 1.00 0.00 H ATOM 435 N CYS A1723 17.685 27.159 26.983 1.00 32.18 N ATOM 436 CA CYS A1723 19.106 27.479 27.178 1.00 32.37 C ATOM 437 C CYS A1723 19.379 28.281 28.467 1.00 31.86 C ATOM 438 O CYS A1723 20.375 28.011 29.162 1.00 31.62 O ATOM 439 CB CYS A1723 19.672 28.207 25.962 1.00 33.88 C ATOM 440 SG CYS A1723 19.772 27.159 24.483 1.00 34.84 S ATOM 441 H CYS A1723 17.180 27.567 26.171 1.00 0.00 H ATOM 442 N LEU A1724 18.502 29.225 28.812 1.00 29.77 N ATOM 443 CA LEU A1724 18.623 29.932 30.088 1.00 30.59 C ATOM 444 C LEU A1724 18.603 28.993 31.296 1.00 30.26 C ATOM 445 O LEU A1724 19.311 29.229 32.282 1.00 30.56 O ATOM 446 CB LEU A1724 17.513 30.967 30.267 1.00 30.83 C ATOM 447 CG LEU A1724 17.643 32.263 29.464 1.00 31.87 C ATOM 448 CD1 LEU A1724 16.461 33.181 29.789 1.00 32.01 C ATOM 449 CD2 LEU A1724 18.966 32.979 29.724 1.00 32.55 C ATOM 450 H LEU A1724 17.722 29.462 28.166 1.00 0.00 H ATOM 451 N ALA A1725 17.800 27.938 31.214 1.00 29.96 N ATOM 452 CA ALA A1725 17.731 26.942 32.287 1.00 31.33 C ATOM 453 C ALA A1725 19.018 26.105 32.463 1.00 31.84 C ATOM 454 O ALA A1725 19.160 25.446 33.473 1.00 32.93 O ATOM 455 CB ALA A1725 16.526 26.025 32.075 1.00 31.15 C ATOM 456 H ALA A1725 17.206 27.816 30.369 1.00 0.00 H ATOM 457 N GLN A1726 19.927 26.118 31.488 1.00 32.72 N ATOM 458 CA GLN A1726 21.240 25.451 31.588 1.00 34.70 C ATOM 459 C GLN A1726 22.360 26.336 32.165 1.00 34.71 C ATOM 460 O GLN A1726 23.434 25.834 32.523 1.00 34.73 O ATOM 461 CB GLN A1726 21.707 24.980 30.202 1.00 36.86 C ATOM 462 CG GLN A1726 20.813 23.978 29.511 1.00 38.43 C ATOM 463 CD GLN A1726 20.773 22.670 30.253 1.00 41.03 C ATOM 464 OE1 GLN A1726 19.826 22.405 30.996 1.00 42.39 O ATOM 465 NE2 GLN A1726 21.835 21.863 30.109 1.00 43.61 N ATOM 466 HE22 GLN A1726 22.609 22.132 29.469 1.00 0.00 H ATOM 467 HE21 GLN A1726 21.884 20.969 30.637 1.00 0.00 H ATOM 468 H GLN A1726 19.699 26.626 30.609 1.00 0.00 H ATOM 469 N GLN A1727 22.143 27.647 32.201 1.00 34.07 N ATOM 470 CA GLN A1727 23.165 28.585 32.698 1.00 35.41 C ATOM 471 C GLN A1727 23.483 28.362 34.178 1.00 34.82 C ATOM 472 O GLN A1727 22.711 27.729 34.904 1.00 32.48 O ATOM 473 CB GLN A1727 22.717 30.045 32.531 1.00 35.96 C ATOM 474 CG GLN A1727 22.562 30.543 31.112 1.00 37.05 C ATOM 475 CD GLN A1727 22.232 32.037 31.052 1.00 38.41 C ATOM 476 OE1 GLN A1727 22.061 32.711 32.089 1.00 41.14 O ATOM 477 NE2 GLN A1727 22.158 32.561 29.846 1.00 38.87 N ATOM 478 HE22 GLN A1727 22.307 31.962 29.009 1.00 0.00 H ATOM 479 HE21 GLN A1727 21.950 33.573 29.731 1.00 0.00 H ATOM 480 H GLN A1727 21.230 28.020 31.870 1.00 0.00 H ATOM 481 N VAL A1728 24.620 28.916 34.597 1.00 35.88 N ATOM 482 CA VAL A1728 25.051 28.924 35.998 1.00 37.92 C ATOM 483 C VAL A1728 25.711 30.283 36.308 1.00 39.63 C ATOM 484 O VAL A1728 26.160 30.987 35.387 1.00 40.37 O ATOM 485 CB VAL A1728 25.983 27.718 36.304 1.00 39.04 C ATOM 486 CG1 VAL A1728 27.418 27.978 35.863 1.00 40.54 C ATOM 487 CG2 VAL A1728 25.953 27.386 37.781 1.00 40.69 C ATOM 488 OXT VAL A1728 25.788 30.738 37.452 1.00 40.20 O ATOM 489 H VAL A1728 25.236 29.368 33.891 1.00 0.00 H TER 490 VAL A1728 HETATM 491 ZN ZN A 1 5.045 33.255 17.457 1.00 25.90 ZN HETATM 492 ZN ZN A 2 18.001 27.764 23.085 1.00 30.72 ZN HETATM 493 O HOH 3 11.194 26.475 18.502 1.00 36.44 O HETATM 494 O HOH 4 -2.153 39.340 22.527 1.00 29.77 O HETATM 495 O HOH 5 22.240 40.108 23.992 1.00 61.07 O HETATM 496 O HOH 6 2.822 34.344 13.421 1.00 43.20 O HETATM 497 O HOH 7 13.977 28.944 31.819 1.00 33.35 O HETATM 498 O HOH 8 20.481 34.846 17.321 1.00 54.09 O HETATM 499 O HOH 9 6.675 41.470 22.114 1.00 16.91 O HETATM 500 O HOH 10 17.532 23.263 29.798 1.00 40.55 O HETATM 501 O HOH 11 23.308 19.598 29.852 1.00 46.30 O HETATM 502 O HOH 12 21.310 32.223 16.161 1.00 53.56 O HETATM 503 O HOH 13 -3.015 36.755 25.529 1.00 55.59 O HETATM 504 O HOH 14 23.768 36.504 17.932 1.00 69.07 O HETATM 505 O HOH 15 23.882 41.519 14.763 1.00 54.60 O HETATM 506 O HOH 16 14.561 36.728 25.946 1.00 42.69 O HETATM 507 O HOH 17 6.181 43.870 28.232 1.00 46.14 O HETATM 508 O HOH 18 19.238 26.008 36.182 1.00 26.05 O HETATM 509 O HOH 19 21.987 25.056 35.197 1.00 32.26 O HETATM 510 O HOH 20 23.494 31.019 27.896 1.00 43.38 O HETATM 511 O HOH 21 22.139 37.861 25.699 1.00 42.21 O HETATM 512 O HOH 22 2.585 36.003 23.613 1.00 24.35 O HETATM 513 O HOH 23 22.959 28.275 27.936 1.00 40.81 O HETATM 514 O HOH 24 17.791 28.549 16.409 1.00 46.70 O HETATM 515 O HOH 25 15.688 44.468 20.628 1.00 38.60 O HETATM 516 O HOH 26 13.600 44.144 13.873 1.00 38.09 O HETATM 517 O HOH 27 12.620 25.566 15.984 1.00 49.37 O HETATM 518 O HOH 28 13.132 46.044 21.793 1.00 51.11 O HETATM 519 O HOH 29 -4.609 31.655 13.919 1.00 52.23 O HETATM 520 O HOH 30 11.111 46.537 23.472 1.00 46.04 O HETATM 521 O HOH 31 11.647 42.435 10.749 1.00 46.50 O HETATM 522 O HOH 32 0.405 37.082 25.739 1.00 43.28 O HETATM 523 O HOH 33 10.990 29.681 9.392 1.00 47.03 O HETATM 524 O HOH 34 -1.904 36.966 28.536 1.00 37.67 O HETATM 525 O HOH 35 18.915 36.264 26.361 1.00 48.31 O HETATM 526 O HOH 36 26.217 43.664 18.264 1.00 60.45 O HETATM 527 O HOH 37 0.876 43.504 24.440 1.00 44.79 O HETATM 528 O HOH 38 0.200 35.583 11.202 1.00 38.15 O HETATM 529 O HOH 39 -3.084 34.211 12.580 1.00 40.22 O HETATM 530 O HOH 40 4.488 43.149 22.609 1.00 28.33 O HETATM 531 O HOH 41 16.243 26.744 35.630 1.00 37.06 O HETATM 532 O HOH 42 4.292 42.773 27.959 1.00 39.39 O HETATM 533 O HOH 43 3.547 43.759 25.402 1.00 25.41 O HETATM 534 O HOH 44 12.665 43.083 8.913 1.00 52.81 O HETATM 535 O HOH 45 11.213 43.231 5.501 1.00 49.66 O HETATM 536 O HOH 46 1.165 33.831 15.305 1.00 46.47 O HETATM 537 O HOH 47 14.974 24.308 35.346 1.00 45.99 O HETATM 538 O HOH 48 18.007 36.661 8.610 1.00 43.73 O HETATM 539 O HOH 49 23.480 36.957 15.342 1.00 68.60 O HETATM 540 N ALA A 50 21.422 39.334 16.850 1.00 0.24 N HETATM 541 CA ALA A 50 20.716 38.018 16.756 1.00 0.06 C HETATM 542 C ALA A 50 20.238 37.735 15.330 1.00 0.23 C HETATM 543 O ALA A 50 19.954 38.659 14.563 1.00 -0.39 O HETATM 544 N ALA A 50 20.138 36.449 15.002 1.00 -0.26 N HETATM 545 CA ALA A 50 19.809 35.986 13.647 1.00 0.13 C HETATM 546 C ALA A 50 18.292 35.743 13.494 1.00 0.20 C HETATM 547 O ALA A 50 17.605 35.479 14.488 1.00 -0.39 O HETATM 548 N ALA A 50 17.785 35.843 12.258 1.00 -0.26 N HETATM 549 CA ALA A 50 16.346 35.696 11.963 1.00 0.16 C HETATM 550 C ALA A 50 16.041 34.735 10.810 1.00 0.20 C HETATM 551 O ALA A 50 16.866 34.556 9.916 1.00 -0.39 O HETATM 552 NXT ALA A 50 14.860 34.133 10.831 1.00 -0.30 N HETATM 553 H22 ALA A 50 14.611 33.496 10.102 1.00 0.18 H HETATM 554 H23 ALA A 50 14.219 34.316 11.576 1.00 0.18 H HETATM 555 CB ALA A 50 15.646 37.037 11.692 1.00 0.09 C HETATM 556 OG1 ALA A 50 16.469 37.844 10.850 1.00 -0.39 O HETATM 557 H18 ALA A 50 16.617 37.392 10.027 1.00 0.21 H HETATM 558 CG2 ALA A 50 15.302 37.775 12.967 1.00 -0.03 C HETATM 559 H19 ALA A 50 14.805 38.724 12.718 1.00 0.03 H HETATM 560 H20 ALA A 50 16.223 37.980 13.532 1.00 0.03 H HETATM 561 H21 ALA A 50 14.628 37.157 13.578 1.00 0.03 H HETATM 562 H17 ALA A 50 14.706 36.828 11.160 1.00 0.06 H HETATM 563 H16 ALA A 50 15.889 35.268 12.868 1.00 0.08 H HETATM 564 H15 ALA A 50 18.411 36.026 11.500 1.00 0.19 H HETATM 565 CB ALA A 50 20.605 34.706 13.335 1.00 -0.02 C HETATM 566 CG ALA A 50 22.099 34.813 13.606 1.00 -0.06 C HETATM 567 H12 ALA A 50 22.586 33.859 13.357 1.00 0.02 H HETATM 568 H13 ALA A 50 22.263 35.042 14.669 1.00 0.02 H HETATM 569 H14 ALA A 50 22.527 35.616 12.988 1.00 0.02 H HETATM 570 H10 ALA A 50 20.465 34.464 12.271 1.00 0.03 H HETATM 571 H11 ALA A 50 20.201 33.890 13.953 1.00 0.03 H HETATM 572 H9 ALA A 50 20.106 36.766 12.930 1.00 0.08 H HETATM 573 H8 ALA A 50 20.295 35.764 15.713 1.00 0.19 H HETATM 574 CB ALA A 50 19.541 37.967 17.729 1.00 -0.00 C HETATM 575 H5 ALA A 50 19.037 36.993 17.644 1.00 0.03 H HETATM 576 H6 ALA A 50 18.830 38.771 17.487 1.00 0.03 H HETATM 577 H7 ALA A 50 19.910 38.100 18.757 1.00 0.03 H HETATM 578 H4 ALA A 50 21.430 37.230 17.038 1.00 0.11 H HETATM 579 H1 ALA A 50 21.722 39.487 17.800 1.00 0.20 H HETATM 580 H2 ALA A 50 20.794 40.072 16.573 1.00 0.20 H HETATM 581 H3 ALA A 50 22.225 39.329 16.241 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 25 24 491 CONECT 49 48 491 CONECT 169 168 492 CONECT 190 189 492 CONECT 236 235 238 491 CONECT 269 268 491 CONECT 416 415 492 CONECT 440 439 492 CONECT 491 25 49 236 269 CONECT 492 169 190 416 440 CONECT 540 541 579 580 581 CONECT 541 540 542 574 578 CONECT 542 541 543 544 CONECT 543 542 CONECT 544 542 545 573 CONECT 545 544 546 565 572 CONECT 546 545 547 548 CONECT 547 546 CONECT 548 546 549 564 CONECT 549 548 550 555 563 CONECT 550 549 551 552 CONECT 551 550 CONECT 552 550 553 554 CONECT 553 552 CONECT 554 552 CONECT 555 549 556 558 562 CONECT 556 555 557 CONECT 557 556 CONECT 558 555 559 560 561 CONECT 559 558 CONECT 560 558 CONECT 561 558 CONECT 562 555 CONECT 563 549 CONECT 564 548 CONECT 565 545 566 570 571 CONECT 566 565 567 568 569 CONECT 567 566 CONECT 568 566 CONECT 569 566 CONECT 570 565 CONECT 571 565 CONECT 572 545 CONECT 573 544 CONECT 574 541 575 576 577 CONECT 575 574 CONECT 576 574 CONECT 577 574 CONECT 578 541 CONECT 579 540 CONECT 580 540 CONECT 581 540 MASTER 0 0 0 0 0 0 0 0 580 1 56 4 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6fhu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4q6f
RCSB PDB
PDBbind
58aa, >4Q6F_1|Chains... *
5t8r
RCSB PDB
PDBbind
58aa, >5T8R_1|Chains... at 100%
6fap
RCSB PDB
PDBbind
58aa, >6FAP_1|Chains... at 100%
6fkp
RCSB PDB
PDBbind
58aa, >6FKP_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a1b
RCSB PDB
PDBbind
3-mer
1a1c
RCSB PDB
PDBbind
3-mer
1a30
RCSB PDB
PDBbind
3-mer
1at5
RCSB PDB
PDBbind
3-mer
1at6
RCSB PDB
PDBbind
3-mer
1b05
RCSB PDB
PDBbind
3-mer
1b0h
RCSB PDB
PDBbind
3-mer
1b1h
RCSB PDB
PDBbind
3-mer
1b2h
RCSB PDB
PDBbind
3-mer
1b32
RCSB PDB
PDBbind
3-mer
1b3f
RCSB PDB
PDBbind
3-mer
1b3g
RCSB PDB
PDBbind
3-mer
1b3h
RCSB PDB
PDBbind
3-mer
1b3l
RCSB PDB
PDBbind
3-mer
1b40
RCSB PDB
PDBbind
3-mer
1b46
RCSB PDB
PDBbind
3-mer
1b4h
RCSB PDB
PDBbind
3-mer
1b4z
RCSB PDB
PDBbind
3-mer
1b51
RCSB PDB
PDBbind
3-mer
1b52
RCSB PDB
PDBbind
3-mer
1b58
RCSB PDB
PDBbind
3-mer
1b5h
RCSB PDB
PDBbind
3-mer
1b5i
RCSB PDB
PDBbind
3-mer
1b5j
RCSB PDB
PDBbind
3-mer
1b6h
RCSB PDB
PDBbind
3-mer
1b7h
RCSB PDB
PDBbind
3-mer
1b9j
RCSB PDB
PDBbind
3-mer
1bm6
RCSB PDB
PDBbind
3-mer
1eub
RCSB PDB
PDBbind
3-mer
1fwu
RCSB PDB
PDBbind
3-mer
1fwv
RCSB PDB
PDBbind
3-mer
1gmy
RCSB PDB
PDBbind
3-mer
1hkj
RCSB PDB
PDBbind
3-mer
1hkk
RCSB PDB
PDBbind
3-mer
1hkm
RCSB PDB
PDBbind
3-mer
1jet
RCSB PDB
PDBbind
3-mer
1jeu
RCSB PDB
PDBbind
3-mer
1jev
RCSB PDB
PDBbind
3-mer
1jlx
RCSB PDB
PDBbind
3-mer
1jrs
RCSB PDB
PDBbind
3-mer
1kjr
RCSB PDB
PDBbind
3-mer
1kug
RCSB PDB
PDBbind
3-mer
1kui
RCSB PDB
PDBbind
3-mer
1kuk
RCSB PDB
PDBbind
3-mer
1ll4
RCSB PDB
PDBbind
3-mer
1m7d
RCSB PDB
PDBbind
3-mer
1mfa
RCSB PDB
PDBbind
3-mer
1mfd
RCSB PDB
PDBbind
3-mer
1nu8
RCSB PDB
PDBbind
3-mer
1ogg
RCSB PDB
PDBbind
3-mer
1qka
RCSB PDB
PDBbind
3-mer
1qkb
RCSB PDB
PDBbind
3-mer
1ule
RCSB PDB
PDBbind
3-mer
1ur9
RCSB PDB
PDBbind
3-mer
1ux7
RCSB PDB
PDBbind
3-mer
1uz8
RCSB PDB
PDBbind
3-mer
1w3l
RCSB PDB
PDBbind
3-mer
1y3g
RCSB PDB
PDBbind
3-mer
2euk
RCSB PDB
PDBbind
3-mer
2eum
RCSB PDB
PDBbind
3-mer
2evl
RCSB PDB
PDBbind
3-mer
2jdh
RCSB PDB
PDBbind
3-mer
2jdk
RCSB PDB
PDBbind
3-mer
2liq
RCSB PDB
PDBbind
3-mer
2olb
RCSB PDB
PDBbind
3-mer
2r2b
RCSB PDB
PDBbind
3-mer
2vxj
RCSB PDB
PDBbind
3-mer
2w68
RCSB PDB
PDBbind
3-mer
2w7y
RCSB PDB
PDBbind
3-mer
2wk2
RCSB PDB
PDBbind
3-mer
2wm0
RCSB PDB
PDBbind
3-mer
2xdw
RCSB PDB
PDBbind
3-mer
2xg3
RCSB PDB
PDBbind
3-mer
2yjq
RCSB PDB
PDBbind
3-mer
3afk
RCSB PDB
PDBbind
3-mer
3ap7
RCSB PDB
PDBbind
3-mer
3aya
RCSB PDB
PDBbind
3-mer
3ayd
RCSB PDB
PDBbind
3-mer
3g19
RCSB PDB
PDBbind
3-mer
3gxy
RCSB PDB
PDBbind
3-mer
3m3c
RCSB PDB
PDBbind
3-mer
3m3e
RCSB PDB
PDBbind
3-mer
3m3o
RCSB PDB
PDBbind
3-mer
3mbp
RCSB PDB
PDBbind
3-mer
3rse
RCSB PDB
PDBbind
3-mer
3tcg
RCSB PDB
PDBbind
3-mer
4bgy
RCSB PDB
PDBbind
3-mer
4bh3
RCSB PDB
PDBbind
3-mer
4bh4
RCSB PDB
PDBbind
3-mer
4c1u
RCSB PDB
PDBbind
3-mer
4d2d
RCSB PDB
PDBbind
3-mer
4dj7
RCSB PDB
PDBbind
3-mer
4g0a
RCSB PDB
PDBbind
3-mer
4g68
RCSB PDB
PDBbind
3-mer
4gzw
RCSB PDB
PDBbind
3-mer
4hpi
RCSB PDB
PDBbind
3-mer
4hxj
RCSB PDB
PDBbind
3-mer
4igq
RCSB PDB
PDBbind
3-mer
4je8
RCSB PDB
PDBbind
3-mer
4k64
RCSB PDB
PDBbind
3-mer
4k67
RCSB PDB
PDBbind
3-mer
4lbl
RCSB PDB
PDBbind
3-mer
4lbo
RCSB PDB
PDBbind
3-mer
4lkg
RCSB PDB
PDBbind
3-mer
4lkj
RCSB PDB
PDBbind
3-mer
4m7j
RCSB PDB
PDBbind
3-mer
5glu
RCSB PDB
PDBbind
3-mer
5mxo
RCSB PDB
PDBbind
3-mer
5t54
RCSB PDB
PDBbind
3-mer
5tpb
RCSB PDB
PDBbind
3-mer
5ufc
RCSB PDB
PDBbind
3-mer
5xhs
RCSB PDB
PDBbind
3-mer
6df1
RCSB PDB
PDBbind
3-mer
6df2
RCSB PDB
PDBbind
3-mer
6m9c
RCSB PDB
PDBbind
3-mer
6m9d
RCSB PDB
PDBbind
3-mer
6phx
RCSB PDB
PDBbind
3-mer
6p7p
RCSB PDB
PDBbind
3-mer
6k2n
RCSB PDB
PDBbind
3-mer
6iht
RCSB PDB
PDBbind
3-mer
6idz
RCSB PDB
PDBbind
3-mer
6idb
RCSB PDB
PDBbind
3-mer
Entry Information
PDB ID
6fhu
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
BAZ2A PHD
Ligand Name
3-mer
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=2.3mM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Chem. Biol. Vol. 13: pp. 915-921
Ligand Properties
Formula
C
1
1
H
2
3
N
4
O
4
Molecular Weight
275.325
Exact Mass
275.172
No. of atoms
42
No. of bonds
41
Polar Surface Area
149.16
LOGP Value
-1.97 (
Computed with XLOGP3
)
-1.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 0
Canonical SMILES
CC[C@@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)NC(=O)[C@@H]([NH3+])C
InChI String
InChI=1S/C11H22N4O4/c1-4-7(14-10(18)5(2)12)11(19)15-8(6(3)16)9(13)17/h5-8,16H,4,12H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)/p+1/t5-,6+,7-,8-/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):
Q9UIF9
Entrez Gene ID
NCBI Entrez Gene ID:
11176
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓