Browse entries in the PDBbind-CN Database
HEADER 5T8R_COMPLEX COMPND 5T8R_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 54 ASN LYS VAL THR CYS LEU VAL CYS ARG LYS GLY ASP ASN SEQRES 2 A 54 ASP GLU PHE LEU LEU LEU CYS ASP GLY CYS ASP ARG GLY SEQRES 3 A 54 CYS HIS ILE TYR CYS HIS ARG PRO LYS MET GLU ALA VAL SEQRES 4 A 54 PRO GLU GLY ASP TRP PHE CYS THR VAL CYS LEU ALA GLN SEQRES 5 A 54 GLN VAL HET ZN A 1 1 HET ZN A 2 1 HET ALA A 83 124 ATOM 1 N ASN A1675 16.562 24.486 7.315 1.00 88.59 N ATOM 2 CA ASN A1675 15.366 23.677 7.710 1.00 86.89 C ATOM 3 C ASN A1675 14.297 24.516 8.429 1.00 81.55 C ATOM 4 O ASN A1675 14.544 25.675 8.798 1.00 79.40 O ATOM 5 CB ASN A1675 15.779 22.440 8.544 1.00 85.69 C ATOM 6 CG ASN A1675 16.655 22.785 9.744 1.00 84.28 C ATOM 7 OD1 ASN A1675 16.456 23.802 10.413 1.00 79.29 O ATOM 8 ND2 ASN A1675 17.628 21.921 10.029 1.00 82.25 N ATOM 9 HD22 ASN A1675 17.762 21.075 9.439 1.00 0.00 H ATOM 10 HD21 ASN A1675 18.254 22.092 10.842 1.00 0.00 H ATOM 11 HN3 ASN A1675 16.997 24.898 8.165 1.00 0.00 H ATOM 12 HN2 ASN A1675 16.267 25.248 6.672 1.00 0.00 H ATOM 13 HN1 ASN A1675 17.251 23.872 6.835 1.00 0.00 H ATOM 14 N LYS A1676 13.119 23.916 8.614 1.00110.92 N ATOM 15 CA LYS A1676 11.962 24.593 9.194 1.00101.15 C ATOM 16 C LYS A1676 11.949 24.510 10.729 1.00 92.63 C ATOM 17 O LYS A1676 11.470 23.533 11.316 1.00 91.38 O ATOM 18 CB LYS A1676 10.658 24.032 8.612 1.00103.72 C ATOM 19 H LYS A1676 13.020 22.920 8.332 1.00 0.00 H ATOM 20 N VAL A1677 12.491 25.556 11.355 1.00 82.18 N ATOM 21 CA VAL A1677 12.360 25.800 12.790 1.00 73.54 C ATOM 22 C VAL A1677 10.938 26.295 13.046 1.00 67.97 C ATOM 23 O VAL A1677 10.290 26.835 12.134 1.00 67.84 O ATOM 24 CB VAL A1677 13.385 26.868 13.259 1.00 71.62 C ATOM 25 CG1 VAL A1677 13.171 27.271 14.714 1.00 67.56 C ATOM 26 CG2 VAL A1677 14.808 26.348 13.065 1.00 74.53 C ATOM 27 H VAL A1677 13.038 26.236 10.790 1.00 0.00 H ATOM 28 N THR A1678 10.439 26.087 14.265 1.00 61.39 N ATOM 29 CA THR A1678 9.154 26.659 14.679 1.00 56.74 C ATOM 30 C THR A1678 9.256 27.451 15.984 1.00 51.69 C ATOM 31 O THR A1678 10.179 27.273 16.788 1.00 51.58 O ATOM 32 CB THR A1678 8.023 25.596 14.799 1.00 57.99 C ATOM 33 OG1 THR A1678 8.331 24.663 15.837 1.00 57.53 O ATOM 34 CG2 THR A1678 7.806 24.855 13.479 1.00 60.90 C ATOM 35 HG1 THR A1678 7.605 23.993 15.903 1.00 0.00 H ATOM 36 H THR A1678 10.975 25.504 14.939 1.00 0.00 H ATOM 37 N CYS A1679 8.273 28.321 16.177 1.00 48.63 N ATOM 38 CA CYS A1679 8.172 29.150 17.375 1.00 45.58 C ATOM 39 C CYS A1679 7.722 28.349 18.616 1.00 45.32 C ATOM 40 O CYS A1679 6.750 27.597 18.566 1.00 47.19 O ATOM 41 CB CYS A1679 7.197 30.294 17.083 1.00 43.83 C ATOM 42 SG CYS A1679 6.822 31.467 18.400 1.00 39.97 S ATOM 43 H CYS A1679 7.542 28.417 15.443 1.00 0.00 H ATOM 44 N LEU A1680 8.420 28.532 19.732 1.00 43.67 N ATOM 45 CA LEU A1680 8.045 27.877 20.998 1.00 44.38 C ATOM 46 C LEU A1680 6.661 28.256 21.532 1.00 43.95 C ATOM 47 O LEU A1680 6.032 27.454 22.212 1.00 46.94 O ATOM 48 CB LEU A1680 9.077 28.167 22.088 1.00 43.71 C ATOM 49 CG LEU A1680 10.392 27.398 22.013 1.00 44.94 C ATOM 50 CD1 LEU A1680 11.364 27.946 23.057 1.00 44.77 C ATOM 51 CD2 LEU A1680 10.180 25.908 22.222 1.00 46.96 C ATOM 52 H LEU A1680 9.253 29.154 19.711 1.00 0.00 H ATOM 53 N VAL A1681 6.204 29.465 21.221 1.00 41.27 N ATOM 54 CA VAL A1681 4.944 30.005 21.722 1.00 41.60 C ATOM 55 C VAL A1681 3.735 29.563 20.886 1.00 43.08 C ATOM 56 O VAL A1681 2.793 29.022 21.418 1.00 45.59 O ATOM 57 CB VAL A1681 4.996 31.557 21.744 1.00 40.06 C ATOM 58 CG1 VAL A1681 3.706 32.141 22.286 1.00 41.21 C ATOM 59 CG2 VAL A1681 6.200 32.054 22.539 1.00 39.04 C ATOM 60 H VAL A1681 6.775 30.058 20.586 1.00 0.00 H ATOM 61 N CYS A1682 3.759 29.845 19.588 1.00 43.30 N ATOM 62 CA CYS A1682 2.626 29.604 18.701 1.00 46.31 C ATOM 63 C CYS A1682 2.787 28.348 17.833 1.00 50.48 C ATOM 64 O CYS A1682 1.808 27.909 17.222 1.00 52.41 O ATOM 65 CB CYS A1682 2.365 30.831 17.819 1.00 44.73 C ATOM 66 SG CYS A1682 3.589 31.088 16.520 1.00 42.56 S ATOM 67 H CYS A1682 4.625 30.256 19.186 1.00 0.00 H ATOM 68 N ARG A1683 3.999 27.787 17.768 1.00 52.50 N ATOM 69 CA ARG A1683 4.272 26.516 17.042 1.00 58.20 C ATOM 70 C ARG A1683 4.180 26.603 15.499 1.00 57.99 C ATOM 71 O ARG A1683 4.273 25.587 14.828 1.00 59.60 O ATOM 72 CB ARG A1683 3.385 25.349 17.549 1.00 64.38 C ATOM 73 CG ARG A1683 3.307 25.142 19.059 1.00 67.33 C ATOM 74 CD ARG A1683 4.681 24.955 19.684 1.00 69.79 C ATOM 75 NE ARG A1683 4.680 24.043 20.839 1.00 76.52 N ATOM 76 CZ ARG A1683 5.754 23.744 21.594 1.00 78.13 C ATOM 77 NH1 ARG A1683 5.631 22.885 22.615 1.00 80.47 N ATOM 78 NH2 ARG A1683 6.950 24.292 21.349 1.00 74.74 N ATOM 79 HE ARG A1683 3.777 23.593 21.092 1.00 0.00 H ATOM 80 HH12 ARG A1683 6.458 22.651 23.201 1.00 0.00 H ATOM 81 HH11 ARG A1683 4.708 22.452 22.822 1.00 0.00 H ATOM 82 HH22 ARG A1683 7.766 24.047 21.945 1.00 0.00 H ATOM 83 HH21 ARG A1683 7.063 24.963 20.563 1.00 0.00 H ATOM 84 H ARG A1683 4.790 28.262 18.248 1.00 0.00 H ATOM 85 N LYS A1684 4.017 27.803 14.945 1.00 55.82 N ATOM 86 CA LYS A1684 4.045 28.005 13.504 1.00 56.64 C ATOM 87 C LYS A1684 5.466 28.398 13.070 1.00 54.33 C ATOM 88 O LYS A1684 6.216 29.023 13.820 1.00 50.89 O ATOM 89 CB LYS A1684 3.035 29.081 13.089 1.00 57.00 C ATOM 90 CG LYS A1684 1.634 28.860 13.648 1.00 59.35 C ATOM 91 CD LYS A1684 0.613 29.843 13.087 1.00 61.22 C ATOM 92 CE LYS A1684 -0.797 29.526 13.584 1.00 64.63 C ATOM 93 NZ LYS A1684 -1.866 30.136 12.737 1.00 67.09 N ATOM 94 HZ1 LYS A1684 -1.757 31.170 12.734 1.00 0.00 H ATOM 95 HZ2 LYS A1684 -1.785 29.775 11.765 1.00 0.00 H ATOM 96 HZ3 LYS A1684 -2.798 29.886 13.124 1.00 0.00 H ATOM 97 H LYS A1684 3.864 28.625 15.564 1.00 0.00 H ATOM 98 N GLY A1685 5.829 28.000 11.855 1.00 56.69 N ATOM 99 CA GLY A1685 7.116 28.345 11.255 1.00 56.44 C ATOM 100 C GLY A1685 7.058 29.456 10.218 1.00 56.89 C ATOM 101 O GLY A1685 8.007 29.624 9.443 1.00 57.23 O ATOM 102 H GLY A1685 5.166 27.416 11.306 1.00 0.00 H ATOM 103 N ASP A1686 5.957 30.214 10.195 1.00 57.11 N ATOM 104 CA ASP A1686 5.782 31.298 9.216 1.00 58.28 C ATOM 105 C ASP A1686 6.455 32.596 9.694 1.00 54.58 C ATOM 106 O ASP A1686 6.958 32.665 10.818 1.00 51.01 O ATOM 107 CB ASP A1686 4.295 31.501 8.864 1.00 61.06 C ATOM 108 CG ASP A1686 3.442 31.942 10.048 1.00 60.57 C ATOM 109 OD1 ASP A1686 3.961 32.094 11.182 1.00 58.84 O ATOM 110 OD2 ASP A1686 2.224 32.133 9.826 1.00 64.15 O ATOM 111 H ASP A1686 5.203 30.032 10.888 1.00 0.00 H ATOM 112 N ASN A1687 6.485 33.593 8.812 1.00 54.59 N ATOM 113 CA ASN A1687 7.126 34.879 9.057 1.00 52.48 C ATOM 114 C ASN A1687 8.566 34.756 9.522 1.00 51.05 C ATOM 115 O ASN A1687 8.934 35.233 10.601 1.00 47.24 O ATOM 116 CB ASN A1687 6.279 35.718 10.020 1.00 50.64 C ATOM 117 CG ASN A1687 4.981 36.177 9.388 1.00 51.76 C ATOM 118 OD1 ASN A1687 4.947 36.552 8.222 1.00 54.92 O ATOM 119 ND2 ASN A1687 3.914 36.157 10.155 1.00 50.99 N ATOM 120 HD22 ASN A1687 3.988 35.831 11.140 1.00 0.00 H ATOM 121 HD21 ASN A1687 2.996 36.467 9.777 1.00 0.00 H ATOM 122 H ASN A1687 6.023 33.445 7.892 1.00 0.00 H ATOM 123 N ASP A1688 9.361 34.114 8.667 1.00 53.85 N ATOM 124 CA ASP A1688 10.803 33.861 8.885 1.00 55.25 C ATOM 125 C ASP A1688 11.562 35.092 9.355 1.00 51.80 C ATOM 126 O ASP A1688 12.493 34.973 10.126 1.00 49.66 O ATOM 127 CB ASP A1688 11.503 33.413 7.575 1.00 62.32 C ATOM 128 CG ASP A1688 10.952 32.097 6.982 1.00 67.08 C ATOM 129 OD1 ASP A1688 10.090 31.419 7.597 1.00 68.65 O ATOM 130 OD2 ASP A1688 11.397 31.749 5.865 1.00 71.84 O ATOM 131 H ASP A1688 8.938 33.766 7.783 1.00 0.00 H ATOM 132 N GLU A1689 11.176 36.258 8.839 1.00 51.46 N ATOM 133 CA GLU A1689 11.847 37.532 9.110 1.00 51.30 C ATOM 134 C GLU A1689 11.769 37.948 10.559 1.00 46.21 C ATOM 135 O GLU A1689 12.634 38.664 11.029 1.00 45.09 O ATOM 136 CB GLU A1689 11.235 38.671 8.293 1.00 54.85 C ATOM 137 CG GLU A1689 11.298 38.510 6.769 1.00 60.90 C ATOM 138 CD GLU A1689 10.104 37.779 6.142 1.00 62.36 C ATOM 139 OE1 GLU A1689 10.097 37.704 4.885 1.00 68.18 O ATOM 140 OE2 GLU A1689 9.202 37.274 6.877 1.00 58.79 O ATOM 141 H GLU A1689 10.350 36.264 8.207 1.00 0.00 H ATOM 142 N PHE A1690 10.710 37.528 11.243 1.00 43.10 N ATOM 143 CA PHE A1690 10.514 37.816 12.662 1.00 40.15 C ATOM 144 C PHE A1690 10.866 36.638 13.582 1.00 39.37 C ATOM 145 O PHE A1690 10.666 36.730 14.788 1.00 38.71 O ATOM 146 CB PHE A1690 9.053 38.206 12.894 1.00 38.82 C ATOM 147 CG PHE A1690 8.596 39.394 12.087 1.00 40.37 C ATOM 148 CD1 PHE A1690 8.164 39.242 10.769 1.00 42.47 C ATOM 149 CD2 PHE A1690 8.581 40.674 12.645 1.00 40.14 C ATOM 150 CE1 PHE A1690 7.733 40.340 10.022 1.00 43.96 C ATOM 151 CE2 PHE A1690 8.146 41.772 11.900 1.00 41.55 C ATOM 152 CZ PHE A1690 7.729 41.604 10.587 1.00 43.17 C ATOM 153 H PHE A1690 9.988 36.969 10.746 1.00 0.00 H ATOM 154 N LEU A1691 11.401 35.544 13.046 1.00 41.31 N ATOM 155 CA LEU A1691 11.483 34.297 13.799 1.00 42.38 C ATOM 156 C LEU A1691 12.898 34.137 14.333 1.00 43.60 C ATOM 157 O LEU A1691 13.779 33.675 13.628 1.00 47.00 O ATOM 158 CB LEU A1691 11.028 33.100 12.945 1.00 44.29 C ATOM 159 CG LEU A1691 10.931 31.684 13.561 1.00 45.32 C ATOM 160 CD1 LEU A1691 10.543 31.653 15.029 1.00 43.70 C ATOM 161 CD2 LEU A1691 9.956 30.816 12.768 1.00 47.34 C ATOM 162 H LEU A1691 11.767 35.578 12.073 1.00 0.00 H ATOM 163 N LEU A1692 13.103 34.577 15.572 1.00 42.88 N ATOM 164 CA LEU A1692 14.393 34.474 16.247 1.00 44.45 C ATOM 165 C LEU A1692 14.840 33.033 16.421 1.00 45.15 C ATOM 166 O LEU A1692 14.032 32.191 16.789 1.00 43.57 O ATOM 167 CB LEU A1692 14.343 35.096 17.646 1.00 43.54 C ATOM 168 CG LEU A1692 14.948 36.462 17.842 1.00 45.62 C ATOM 169 CD1 LEU A1692 14.886 36.775 19.324 1.00 45.01 C ATOM 170 CD2 LEU A1692 16.386 36.507 17.360 1.00 49.60 C ATOM 171 H LEU A1692 12.309 35.014 16.082 1.00 0.00 H ATOM 172 N LEU A1693 16.128 32.779 16.174 1.00 47.15 N ATOM 173 CA LEU A1693 16.748 31.494 16.483 1.00 48.97 C ATOM 174 C LEU A1693 17.551 31.600 17.779 1.00 48.12 C ATOM 175 O LEU A1693 18.182 32.631 18.051 1.00 47.45 O ATOM 176 CB LEU A1693 17.674 31.055 15.357 1.00 53.20 C ATOM 177 CG LEU A1693 17.081 30.897 13.954 1.00 56.11 C ATOM 178 CD1 LEU A1693 18.161 30.401 13.000 1.00 60.58 C ATOM 179 CD2 LEU A1693 15.881 29.951 13.929 1.00 56.31 C ATOM 180 H LEU A1693 16.712 33.525 15.745 1.00 0.00 H ATOM 181 N CYS A1694 17.509 30.536 18.582 1.00 47.49 N ATOM 182 CA CYS A1694 18.256 30.485 19.820 1.00 46.89 C ATOM 183 C CYS A1694 19.696 30.277 19.451 1.00 50.00 C ATOM 184 O CYS A1694 19.993 29.432 18.622 1.00 52.04 O ATOM 185 CB CYS A1694 17.798 29.335 20.693 1.00 46.75 C ATOM 186 SG CYS A1694 18.753 29.184 22.231 1.00 46.47 S ATOM 187 H CYS A1694 16.923 29.721 18.311 1.00 0.00 H ATOM 188 N ASP A1695 20.590 31.048 20.062 1.00 51.92 N ATOM 189 CA ASP A1695 22.030 30.877 19.835 1.00 55.98 C ATOM 190 C ASP A1695 22.609 29.583 20.453 1.00 56.83 C ATOM 191 O ASP A1695 23.683 29.148 20.048 1.00 61.06 O ATOM 192 CB ASP A1695 22.806 32.127 20.281 1.00 57.66 C ATOM 193 CG ASP A1695 22.712 33.265 19.257 1.00 59.85 C ATOM 194 OD1 ASP A1695 23.191 33.093 18.116 1.00 63.01 O ATOM 195 OD2 ASP A1695 22.147 34.333 19.575 1.00 60.07 O ATOM 196 H ASP A1695 20.262 31.788 20.715 1.00 0.00 H ATOM 197 N GLY A1696 21.881 28.951 21.377 1.00 53.55 N ATOM 198 CA GLY A1696 22.329 27.739 22.050 1.00 54.53 C ATOM 199 C GLY A1696 21.673 26.432 21.625 1.00 54.85 C ATOM 200 O GLY A1696 22.168 25.371 21.990 1.00 56.98 O ATOM 201 H GLY A1696 20.951 29.342 21.628 1.00 0.00 H ATOM 202 N CYS A1697 20.572 26.478 20.870 1.00 52.74 N ATOM 203 CA CYS A1697 19.935 25.244 20.379 1.00 53.88 C ATOM 204 C CYS A1697 19.188 25.498 19.062 1.00 54.60 C ATOM 205 O CYS A1697 19.314 26.571 18.471 1.00 52.49 O ATOM 206 CB CYS A1697 19.004 24.691 21.458 1.00 52.53 C ATOM 207 SG CYS A1697 17.483 25.645 21.696 1.00 48.70 S ATOM 208 H CYS A1697 20.158 27.400 20.625 1.00 0.00 H ATOM 209 N ASP A1698 18.410 24.515 18.607 1.00 57.67 N ATOM 210 CA ASP A1698 17.647 24.626 17.358 1.00 59.67 C ATOM 211 C ASP A1698 16.186 25.118 17.548 1.00 55.80 C ATOM 212 O ASP A1698 15.322 24.864 16.704 1.00 56.84 O ATOM 213 CB ASP A1698 17.718 23.279 16.614 1.00 66.11 C ATOM 214 CG ASP A1698 19.174 22.825 16.357 1.00 73.13 C ATOM 215 OD1 ASP A1698 20.053 23.713 16.193 1.00 75.21 O ATOM 216 OD2 ASP A1698 19.452 21.590 16.327 1.00 78.57 O ATOM 217 H ASP A1698 18.341 23.636 19.158 1.00 0.00 H ATOM 218 N ARG A1699 15.930 25.875 18.611 1.00 50.62 N ATOM 219 CA ARG A1699 14.583 26.340 18.922 1.00 49.06 C ATOM 220 C ARG A1699 14.409 27.779 18.467 1.00 46.47 C ATOM 221 O ARG A1699 15.387 28.486 18.230 1.00 46.17 O ATOM 222 CB ARG A1699 14.299 26.266 20.419 1.00 48.42 C ATOM 223 CG ARG A1699 14.102 24.862 20.937 1.00 50.28 C ATOM 224 CD ARG A1699 13.939 24.894 22.438 1.00 49.39 C ATOM 225 NE ARG A1699 13.752 23.541 22.937 1.00 51.69 N ATOM 226 CZ ARG A1699 14.732 22.660 23.123 1.00 53.44 C ATOM 227 NH1 ARG A1699 15.997 22.976 22.861 1.00 54.44 N ATOM 228 NH2 ARG A1699 14.455 21.447 23.590 1.00 55.41 N ATOM 229 HE ARG A1699 12.783 23.240 23.165 1.00 0.00 H ATOM 230 HH12 ARG A1699 16.750 22.275 23.012 1.00 0.00 H ATOM 231 HH11 ARG A1699 16.233 23.924 22.505 1.00 0.00 H ATOM 232 HH22 ARG A1699 15.221 20.758 23.735 1.00 0.00 H ATOM 233 HH21 ARG A1699 13.473 21.186 23.810 1.00 0.00 H ATOM 234 H ARG A1699 16.714 26.144 19.239 1.00 0.00 H ATOM 235 N GLY A1700 13.158 28.216 18.364 1.00 45.18 N ATOM 236 CA GLY A1700 12.862 29.539 17.818 1.00 43.36 C ATOM 237 C GLY A1700 11.757 30.265 18.523 1.00 40.28 C ATOM 238 O GLY A1700 10.995 29.664 19.252 1.00 40.02 O ATOM 239 H GLY A1700 12.376 27.606 18.677 1.00 0.00 H ATOM 240 N CYS A1701 11.684 31.572 18.301 1.00 39.69 N ATOM 241 CA CYS A1701 10.549 32.374 18.758 1.00 38.63 C ATOM 242 C CYS A1701 10.319 33.587 17.837 1.00 38.50 C ATOM 243 O CYS A1701 11.259 34.311 17.513 1.00 39.75 O ATOM 244 CB CYS A1701 10.797 32.837 20.205 1.00 38.53 C ATOM 245 SG CYS A1701 9.392 33.593 21.061 1.00 37.70 S ATOM 246 H CYS A1701 12.457 32.040 17.787 1.00 0.00 H ATOM 247 N HIS A1702 9.074 33.814 17.424 1.00 36.93 N ATOM 248 CA HIS A1702 8.710 35.071 16.788 1.00 35.83 C ATOM 249 C HIS A1702 8.886 36.208 17.774 1.00 33.75 C ATOM 250 O HIS A1702 8.404 36.124 18.895 1.00 32.75 O ATOM 251 CB HIS A1702 7.254 35.074 16.359 1.00 37.06 C ATOM 252 CG HIS A1702 6.946 34.098 15.283 1.00 39.53 C ATOM 253 ND1 HIS A1702 6.104 33.029 15.485 1.00 41.01 N ATOM 254 CD2 HIS A1702 7.373 34.014 13.999 1.00 40.64 C ATOM 255 CE1 HIS A1702 6.021 32.326 14.365 1.00 43.43 C ATOM 256 NE2 HIS A1702 6.784 32.901 13.451 1.00 42.52 N ATOM 257 H HIS A1702 8.349 33.080 17.558 1.00 0.00 H ATOM 258 N ILE A1703 9.521 37.297 17.350 1.00 33.77 N ATOM 259 CA ILE A1703 9.660 38.471 18.228 1.00 32.48 C ATOM 260 C ILE A1703 8.295 38.994 18.721 1.00 31.52 C ATOM 261 O ILE A1703 8.178 39.432 19.871 1.00 31.38 O ATOM 262 CB ILE A1703 10.476 39.617 17.582 1.00 33.82 C ATOM 263 CG1 ILE A1703 9.816 40.166 16.319 1.00 34.30 C ATOM 264 CG2 ILE A1703 11.903 39.167 17.264 1.00 34.91 C ATOM 265 CD1 ILE A1703 10.394 41.497 15.937 1.00 36.14 C ATOM 266 H ILE A1703 9.923 37.320 16.391 1.00 0.00 H ATOM 267 N TYR A1704 7.269 38.883 17.880 1.00 31.12 N ATOM 268 CA TYR A1704 5.911 39.299 18.236 1.00 31.91 C ATOM 269 C TYR A1704 5.183 38.337 19.176 1.00 32.19 C ATOM 270 O TYR A1704 4.153 38.705 19.718 1.00 34.29 O ATOM 271 CB TYR A1704 5.043 39.585 16.987 1.00 33.29 C ATOM 272 CG TYR A1704 4.910 38.450 15.977 1.00 34.02 C ATOM 273 CD1 TYR A1704 4.041 37.383 16.198 1.00 34.59 C ATOM 274 CD2 TYR A1704 5.627 38.472 14.778 1.00 34.99 C ATOM 275 CE1 TYR A1704 3.904 36.348 15.272 1.00 35.92 C ATOM 276 CE2 TYR A1704 5.497 37.452 13.838 1.00 36.85 C ATOM 277 CZ TYR A1704 4.637 36.378 14.084 1.00 37.60 C ATOM 278 OH TYR A1704 4.502 35.352 13.143 1.00 38.53 O ATOM 279 HH TYR A1704 3.857 34.680 13.479 1.00 0.00 H ATOM 280 H TYR A1704 7.439 38.486 16.934 1.00 0.00 H ATOM 281 N CYS A1705 5.680 37.119 19.351 1.00 31.74 N ATOM 282 CA CYS A1705 5.139 36.207 20.354 1.00 32.86 C ATOM 283 C CYS A1705 5.823 36.349 21.744 1.00 31.99 C ATOM 284 O CYS A1705 5.289 35.890 22.753 1.00 31.38 O ATOM 285 CB CYS A1705 5.244 34.761 19.844 1.00 34.55 C ATOM 286 SG CYS A1705 4.158 34.335 18.446 1.00 37.08 S ATOM 287 H CYS A1705 6.475 36.806 18.758 1.00 0.00 H ATOM 288 N HIS A1706 6.996 36.981 21.775 1.00 30.51 N ATOM 289 CA HIS A1706 7.778 37.133 22.981 1.00 29.75 C ATOM 290 C HIS A1706 7.075 38.096 23.928 1.00 30.71 C ATOM 291 O HIS A1706 6.504 39.084 23.487 1.00 32.25 O ATOM 292 CB HIS A1706 9.165 37.671 22.635 1.00 29.61 C ATOM 293 CG HIS A1706 10.188 37.493 23.713 1.00 29.78 C ATOM 294 ND1 HIS A1706 10.345 38.390 24.752 1.00 31.47 N ATOM 295 CD2 HIS A1706 11.117 36.528 23.905 1.00 29.34 C ATOM 296 CE1 HIS A1706 11.328 37.984 25.536 1.00 31.50 C ATOM 297 NE2 HIS A1706 11.814 36.857 25.041 1.00 31.07 N ATOM 298 H HIS A1706 7.366 37.384 20.890 1.00 0.00 H ATOM 299 N ARG A1707 7.084 37.746 25.213 1.00 31.27 N ATOM 300 CA ARG A1707 6.617 38.579 26.325 1.00 32.73 C ATOM 301 C ARG A1707 7.708 38.448 27.379 1.00 32.89 C ATOM 302 O ARG A1707 8.031 37.310 27.775 1.00 34.09 O ATOM 303 CB ARG A1707 5.294 38.058 26.902 1.00 34.48 C ATOM 304 CG ARG A1707 4.154 37.974 25.884 1.00 34.44 C ATOM 305 CD ARG A1707 3.704 39.362 25.482 1.00 35.09 C ATOM 306 NE ARG A1707 2.556 39.368 24.578 1.00 35.57 N ATOM 307 CZ ARG A1707 2.608 39.232 23.244 1.00 34.34 C ATOM 308 NH1 ARG A1707 3.755 39.059 22.589 1.00 32.83 N ATOM 309 NH2 ARG A1707 1.483 39.275 22.553 1.00 34.71 N ATOM 310 HE ARG A1707 1.616 39.488 25.006 1.00 0.00 H ATOM 311 HH12 ARG A1707 3.753 38.958 21.554 1.00 0.00 H ATOM 312 HH11 ARG A1707 4.653 39.025 23.113 1.00 0.00 H ATOM 313 HH22 ARG A1707 1.504 39.171 21.518 1.00 0.00 H ATOM 314 HH21 ARG A1707 0.576 39.412 23.044 1.00 0.00 H ATOM 315 H ARG A1707 7.453 36.802 25.447 1.00 0.00 H ATOM 316 N PRO A1708 8.319 39.539 27.824 1.00 32.34 N ATOM 317 CA PRO A1708 8.006 40.905 27.448 1.00 33.42 C ATOM 318 C PRO A1708 8.246 41.325 25.978 1.00 32.07 C ATOM 319 O PRO A1708 8.935 40.657 25.230 1.00 29.06 O ATOM 320 CB PRO A1708 8.928 41.737 28.373 1.00 35.23 C ATOM 321 CG PRO A1708 9.622 40.782 29.266 1.00 35.20 C ATOM 322 CD PRO A1708 9.546 39.454 28.629 1.00 33.03 C ATOM 323 N LYS A1709 7.675 42.476 25.646 1.00 35.48 N ATOM 324 CA LYS A1709 7.703 43.083 24.323 1.00 37.46 C ATOM 325 C LYS A1709 9.100 43.077 23.738 1.00 37.24 C ATOM 326 O LYS A1709 10.007 43.601 24.355 1.00 38.50 O ATOM 327 CB LYS A1709 7.216 44.540 24.389 1.00 41.50 C ATOM 328 CG LYS A1709 6.691 45.070 23.055 1.00 43.91 C ATOM 329 CD LYS A1709 7.107 46.508 22.744 1.00 47.86 C ATOM 330 CE LYS A1709 6.645 47.525 23.774 1.00 51.92 C ATOM 331 NZ LYS A1709 6.437 48.908 23.220 1.00 55.66 N ATOM 332 HZ1 LYS A1709 7.331 49.259 22.822 1.00 0.00 H ATOM 333 HZ2 LYS A1709 5.713 48.876 22.474 1.00 0.00 H ATOM 334 HZ3 LYS A1709 6.123 49.542 23.982 1.00 0.00 H ATOM 335 H LYS A1709 7.165 42.988 26.394 1.00 0.00 H ATOM 336 N MET A1710 9.257 42.452 22.573 1.00 36.33 N ATOM 337 CA MET A1710 10.461 42.527 21.791 1.00 37.89 C ATOM 338 C MET A1710 10.079 43.132 20.446 1.00 39.78 C ATOM 339 O MET A1710 9.467 42.464 19.634 1.00 39.54 O ATOM 340 CB MET A1710 11.040 41.136 21.615 1.00 37.69 C ATOM 341 CG MET A1710 12.458 41.130 21.068 1.00 40.17 C ATOM 342 SD MET A1710 13.166 39.471 20.850 1.00 41.76 S ATOM 343 CE MET A1710 13.740 39.157 22.523 1.00 41.41 C ATOM 344 H MET A1710 8.468 41.880 22.210 1.00 0.00 H ATOM 345 N GLU A1711 10.446 44.393 20.226 1.00 43.55 N ATOM 346 CA GLU A1711 10.127 45.151 18.978 1.00 46.89 C ATOM 347 C GLU A1711 11.118 44.973 17.808 1.00 45.18 C ATOM 348 O GLU A1711 10.873 45.448 16.725 1.00 46.05 O ATOM 349 CB GLU A1711 9.999 46.661 19.289 1.00 52.48 C ATOM 350 CG GLU A1711 8.562 47.140 19.479 1.00 56.05 C ATOM 351 CD GLU A1711 8.448 48.641 19.803 1.00 62.47 C ATOM 352 OE1 GLU A1711 9.408 49.239 20.344 1.00 65.51 O ATOM 353 OE2 GLU A1711 7.382 49.237 19.514 1.00 66.70 O ATOM 354 H GLU A1711 10.988 44.880 20.968 1.00 0.00 H ATOM 355 N ALA A1712 12.228 44.295 18.027 1.00 43.56 N ATOM 356 CA ALA A1712 13.234 44.135 16.999 1.00 44.46 C ATOM 357 C ALA A1712 14.068 42.914 17.297 1.00 43.59 C ATOM 358 O ALA A1712 14.042 42.390 18.410 1.00 41.34 O ATOM 359 CB ALA A1712 14.115 45.367 16.938 1.00 46.78 C ATOM 360 H ALA A1712 12.384 43.865 18.961 1.00 0.00 H ATOM 361 N VAL A1713 14.797 42.461 16.285 1.00 46.24 N ATOM 362 CA VAL A1713 15.730 41.350 16.428 1.00 47.29 C ATOM 363 C VAL A1713 16.975 41.898 17.130 1.00 49.32 C ATOM 364 O VAL A1713 17.579 42.844 16.623 1.00 52.09 O ATOM 365 CB VAL A1713 16.106 40.742 15.052 1.00 49.72 C ATOM 366 CG1 VAL A1713 17.192 39.668 15.192 1.00 50.86 C ATOM 367 CG2 VAL A1713 14.869 40.143 14.389 1.00 48.52 C ATOM 368 H VAL A1713 14.699 42.916 15.355 1.00 0.00 H ATOM 369 N PRO A1714 17.343 41.333 18.303 1.00 49.30 N ATOM 370 CA PRO A1714 18.528 41.837 18.999 1.00 52.53 C ATOM 371 C PRO A1714 19.802 41.536 18.235 1.00 56.69 C ATOM 372 O PRO A1714 19.915 40.477 17.619 1.00 55.26 O ATOM 373 CB PRO A1714 18.523 41.053 20.322 1.00 50.09 C ATOM 374 CG PRO A1714 17.782 39.806 20.015 1.00 46.93 C ATOM 375 CD PRO A1714 16.689 40.266 19.091 1.00 46.52 C ATOM 376 N GLU A1715 20.752 42.458 18.296 1.00 61.96 N ATOM 377 CA GLU A1715 22.027 42.269 17.622 1.00 67.47 C ATOM 378 C GLU A1715 22.997 41.373 18.387 1.00 67.81 C ATOM 379 O GLU A1715 23.900 40.811 17.776 1.00 72.56 O ATOM 380 CB GLU A1715 22.662 43.618 17.289 1.00 73.24 C ATOM 381 CG GLU A1715 21.922 44.295 16.148 1.00 75.66 C ATOM 382 CD GLU A1715 22.401 45.698 15.875 1.00 82.20 C ATOM 383 OE1 GLU A1715 23.615 45.962 16.041 1.00 88.02 O ATOM 384 OE2 GLU A1715 21.558 46.533 15.479 1.00 84.59 O ATOM 385 H GLU A1715 20.583 43.331 18.835 1.00 0.00 H ATOM 386 N GLY A1716 22.833 41.243 19.702 1.00 64.72 N ATOM 387 CA GLY A1716 23.686 40.355 20.494 1.00 65.50 C ATOM 388 C GLY A1716 23.151 38.937 20.513 1.00 62.34 C ATOM 389 O GLY A1716 22.150 38.627 19.864 1.00 60.36 O ATOM 390 H GLY A1716 22.083 41.784 20.177 1.00 0.00 H ATOM 391 N ASP A1717 23.805 38.072 21.276 1.00 61.76 N ATOM 392 CA ASP A1717 23.357 36.688 21.388 1.00 58.71 C ATOM 393 C ASP A1717 21.978 36.632 22.066 1.00 53.32 C ATOM 394 O ASP A1717 21.641 37.508 22.858 1.00 53.77 O ATOM 395 CB ASP A1717 24.390 35.831 22.163 1.00 61.57 C ATOM 396 CG ASP A1717 25.668 35.543 21.353 1.00 66.09 C ATOM 397 OD1 ASP A1717 25.581 35.394 20.115 1.00 67.25 O ATOM 398 OD2 ASP A1717 26.761 35.452 21.958 1.00 68.86 O ATOM 399 H ASP A1717 24.647 38.384 21.801 1.00 0.00 H ATOM 400 N TRP A1718 21.186 35.620 21.729 1.00 49.05 N ATOM 401 CA TRP A1718 19.911 35.387 22.373 1.00 46.59 C ATOM 402 C TRP A1718 19.717 33.903 22.644 1.00 46.15 C ATOM 403 O TRP A1718 19.887 33.078 21.757 1.00 46.28 O ATOM 404 CB TRP A1718 18.750 35.908 21.524 1.00 45.01 C ATOM 405 CG TRP A1718 17.435 35.647 22.166 1.00 41.99 C ATOM 406 CD1 TRP A1718 16.883 36.333 23.215 1.00 41.09 C ATOM 407 CD2 TRP A1718 16.521 34.600 21.841 1.00 39.88 C ATOM 408 NE1 TRP A1718 15.666 35.782 23.543 1.00 39.50 N ATOM 409 CE2 TRP A1718 15.423 34.714 22.722 1.00 39.11 C ATOM 410 CE3 TRP A1718 16.513 33.586 20.880 1.00 40.73 C ATOM 411 CZ2 TRP A1718 14.324 33.830 22.677 1.00 39.51 C ATOM 412 CZ3 TRP A1718 15.418 32.701 20.825 1.00 39.93 C ATOM 413 CH2 TRP A1718 14.340 32.829 21.721 1.00 39.29 C ATOM 414 HE1 TRP A1718 15.032 36.122 24.294 1.00 0.00 H ATOM 415 H TRP A1718 21.493 34.972 20.976 1.00 0.00 H ATOM 416 N PHE A1719 19.324 33.593 23.879 1.00 46.13 N ATOM 417 CA PHE A1719 19.112 32.225 24.326 1.00 46.06 C ATOM 418 C PHE A1719 17.667 31.960 24.722 1.00 43.02 C ATOM 419 O PHE A1719 17.056 32.743 25.451 1.00 42.65 O ATOM 420 CB PHE A1719 20.063 31.925 25.476 1.00 48.66 C ATOM 421 CG PHE A1719 21.503 32.035 25.081 1.00 52.02 C ATOM 422 CD1 PHE A1719 22.126 30.994 24.404 1.00 53.97 C ATOM 423 CD2 PHE A1719 22.221 33.195 25.331 1.00 54.46 C ATOM 424 CE1 PHE A1719 23.450 31.093 24.004 1.00 56.90 C ATOM 425 CE2 PHE A1719 23.548 33.305 24.940 1.00 57.72 C ATOM 426 CZ PHE A1719 24.160 32.252 24.269 1.00 59.04 C ATOM 427 H PHE A1719 19.161 34.366 24.556 1.00 0.00 H ATOM 428 N CYS A1720 17.117 30.852 24.251 1.00 42.12 N ATOM 429 CA CYS A1720 15.757 30.480 24.629 1.00 41.39 C ATOM 430 C CYS A1720 15.668 30.037 26.115 1.00 42.03 C ATOM 431 O CYS A1720 16.685 29.853 26.808 1.00 41.90 O ATOM 432 CB CYS A1720 15.231 29.400 23.700 1.00 41.88 C ATOM 433 SG CYS A1720 15.733 27.737 24.155 1.00 45.78 S ATOM 434 H CYS A1720 17.658 30.241 23.606 1.00 0.00 H ATOM 435 N THR A1721 14.445 29.863 26.594 1.00 41.19 N ATOM 436 CA THR A1721 14.222 29.569 28.011 1.00 42.71 C ATOM 437 C THR A1721 14.723 28.170 28.427 1.00 44.25 C ATOM 438 O THR A1721 15.149 27.950 29.576 1.00 46.86 O ATOM 439 CB THR A1721 12.755 29.778 28.365 1.00 42.73 C ATOM 440 OG1 THR A1721 11.942 28.984 27.495 1.00 43.99 O ATOM 441 CG2 THR A1721 12.390 31.264 28.186 1.00 42.01 C ATOM 442 HG1 THR A1721 10.988 29.118 27.723 1.00 0.00 H ATOM 443 H THR A1721 13.630 29.936 25.953 1.00 0.00 H ATOM 444 N VAL A1722 14.719 27.243 27.481 1.00 43.82 N ATOM 445 CA VAL A1722 15.278 25.918 27.706 1.00 44.99 C ATOM 446 C VAL A1722 16.792 26.008 27.928 1.00 46.01 C ATOM 447 O VAL A1722 17.333 25.302 28.787 1.00 47.77 O ATOM 448 CB VAL A1722 14.966 24.962 26.541 1.00 45.63 C ATOM 449 CG1 VAL A1722 15.524 23.574 26.844 1.00 48.05 C ATOM 450 CG2 VAL A1722 13.457 24.907 26.258 1.00 45.35 C ATOM 451 H VAL A1722 14.306 27.468 26.553 1.00 0.00 H ATOM 452 N CYS A1723 17.458 26.884 27.171 1.00 44.79 N ATOM 453 CA CYS A1723 18.888 27.162 27.363 1.00 46.59 C ATOM 454 C CYS A1723 19.218 27.931 28.643 1.00 47.17 C ATOM 455 O CYS A1723 20.260 27.674 29.266 1.00 47.64 O ATOM 456 CB CYS A1723 19.475 27.891 26.151 1.00 47.31 C ATOM 457 SG CYS A1723 19.585 26.821 24.694 1.00 48.49 S ATOM 458 H CYS A1723 16.946 27.387 26.419 1.00 0.00 H ATOM 459 N LEU A1724 18.353 28.865 29.033 1.00 46.35 N ATOM 460 CA LEU A1724 18.474 29.502 30.352 1.00 49.27 C ATOM 461 C LEU A1724 18.439 28.505 31.513 1.00 49.81 C ATOM 462 O LEU A1724 19.162 28.685 32.503 1.00 51.23 O ATOM 463 CB LEU A1724 17.360 30.527 30.593 1.00 49.47 C ATOM 464 CG LEU A1724 17.378 31.820 29.785 1.00 50.76 C ATOM 465 CD1 LEU A1724 16.501 32.848 30.492 1.00 51.77 C ATOM 466 CD2 LEU A1724 18.779 32.384 29.550 1.00 52.78 C ATOM 467 H LEU A1724 17.581 29.148 28.396 1.00 0.00 H ATOM 468 N ALA A1725 17.578 27.492 31.390 1.00 48.96 N ATOM 469 CA ALA A1725 17.497 26.406 32.366 1.00 52.18 C ATOM 470 C ALA A1725 18.814 25.633 32.539 1.00 55.12 C ATOM 471 O ALA A1725 19.057 25.126 33.622 1.00 60.51 O ATOM 472 CB ALA A1725 16.352 25.451 32.028 1.00 51.46 C ATOM 473 H ALA A1725 16.940 27.475 30.569 1.00 0.00 H ATOM 474 N GLN A1726 19.664 25.563 31.508 1.00 56.12 N ATOM 475 CA GLN A1726 20.957 24.853 31.596 1.00 59.34 C ATOM 476 C GLN A1726 22.119 25.708 32.099 1.00 59.90 C ATOM 477 O GLN A1726 23.199 25.173 32.358 1.00 61.34 O ATOM 478 CB GLN A1726 21.376 24.262 30.237 1.00 61.53 C ATOM 479 CG GLN A1726 20.295 23.523 29.456 1.00 63.07 C ATOM 480 CD GLN A1726 19.544 22.490 30.288 1.00 66.03 C ATOM 481 OE1 GLN A1726 20.136 21.780 31.119 1.00 67.23 O ATOM 482 NE2 GLN A1726 18.227 22.401 30.068 1.00 65.86 N ATOM 483 HE22 GLN A1726 17.775 23.016 29.362 1.00 0.00 H ATOM 484 HE21 GLN A1726 17.655 21.716 30.603 1.00 0.00 H ATOM 485 H GLN A1726 19.405 26.025 30.613 1.00 0.00 H ATOM 486 N GLN A1727 21.925 27.021 32.209 1.00 58.74 N ATOM 487 CA GLN A1727 22.996 27.917 32.683 1.00 61.83 C ATOM 488 C GLN A1727 23.243 27.764 34.173 1.00 63.52 C ATOM 489 O GLN A1727 22.422 27.179 34.880 1.00 63.03 O ATOM 490 CB GLN A1727 22.649 29.374 32.398 1.00 61.64 C ATOM 491 CG GLN A1727 22.582 29.714 30.923 1.00 60.72 C ATOM 492 CD GLN A1727 22.416 31.198 30.674 1.00 61.80 C ATOM 493 OE1 GLN A1727 22.118 31.971 31.591 1.00 61.18 O ATOM 494 NE2 GLN A1727 22.620 31.611 29.419 1.00 63.01 N ATOM 495 HE22 GLN A1727 22.869 30.924 28.679 1.00 0.00 H ATOM 496 HE21 GLN A1727 22.529 32.620 29.182 1.00 0.00 H ATOM 497 H GLN A1727 21.000 27.422 31.956 1.00 0.00 H ATOM 498 N VAL A1728 24.377 28.291 34.633 1.00 66.95 N ATOM 499 CA VAL A1728 24.724 28.324 36.081 1.00 71.35 C ATOM 500 C VAL A1728 25.059 29.743 36.564 1.00 73.24 C ATOM 501 O VAL A1728 25.240 30.689 35.782 1.00 72.05 O ATOM 502 CB VAL A1728 25.876 27.346 36.475 1.00 74.27 C ATOM 503 CG1 VAL A1728 25.555 25.929 36.035 1.00 73.43 C ATOM 504 CG2 VAL A1728 27.227 27.798 35.926 1.00 76.26 C ATOM 505 OXT VAL A1728 25.141 29.963 37.777 1.00 76.30 O ATOM 506 H VAL A1728 25.049 28.697 33.951 1.00 0.00 H TER 507 VAL A1728 HETATM 508 ZN ZN A 1 5.151 32.616 17.281 1.00 35.28 ZN HETATM 509 ZN ZN A 2 17.842 27.318 23.234 1.00 43.55 ZN HETATM 510 O HOH 3 21.478 42.035 21.787 1.00 60.27 O HETATM 511 O HOH 4 6.791 40.972 21.703 1.00 33.26 O HETATM 512 O HOH 5 11.441 22.483 22.175 1.00 46.84 O HETATM 513 O HOH 6 -2.543 42.076 22.048 1.00 57.97 O HETATM 514 O HOH 7 -4.259 29.544 13.827 1.00 60.75 O HETATM 515 O HOH 8 24.673 30.743 27.825 1.00 66.19 O HETATM 516 O HOH 9 19.970 31.507 33.244 1.00 72.86 O HETATM 517 O HOH 10 6.627 21.405 24.731 1.00 59.41 O HETATM 518 O HOH 11 2.583 35.484 23.176 1.00 41.71 O HETATM 519 O HOH 12 14.598 33.713 26.573 1.00 43.98 O HETATM 520 O HOH 13 23.907 36.087 17.820 1.00 65.22 O HETATM 521 O HOH 14 -2.720 43.858 25.342 1.00 58.06 O HETATM 522 O HOH 15 -1.879 38.582 22.148 1.00 39.88 O HETATM 523 O HOH 16 21.778 40.253 23.913 1.00 70.53 O HETATM 524 O HOH 17 21.709 24.333 35.132 1.00 47.69 O HETATM 525 O HOH 18 8.117 33.046 6.134 1.00 55.46 O HETATM 526 O HOH 19 1.012 43.073 24.170 1.00 53.90 O HETATM 527 O HOH 20 2.310 33.368 14.255 1.00 42.34 O HETATM 528 O HOH 21 18.982 35.794 26.442 1.00 51.90 O HETATM 529 O HOH 22 4.447 42.424 22.111 1.00 47.61 O HETATM 530 O HOH 23 4.593 42.286 27.289 1.00 38.70 O HETATM 531 O HOH 24 -0.225 32.208 15.327 1.00 55.61 O HETATM 532 O HOH 25 23.453 41.294 13.962 1.00 56.96 O HETATM 533 O HOH 26 3.658 43.439 24.759 1.00 38.18 O HETATM 534 O HOH 27 27.845 38.022 16.303 1.00 61.97 O HETATM 535 O HOH 28 20.519 33.793 17.107 1.00 49.09 O HETATM 536 N ALA A 29 21.736 38.463 17.196 1.00 0.24 N HETATM 537 CA ALA A 29 20.860 37.276 16.957 1.00 0.06 C HETATM 538 C ALA A 29 20.392 37.222 15.506 1.00 0.23 C HETATM 539 O ALA A 29 20.059 38.250 14.909 1.00 -0.39 O HETATM 540 N ALA A 29 20.366 36.014 14.957 1.00 -0.26 N HETATM 541 CA ALA A 29 19.979 35.777 13.575 1.00 0.13 C HETATM 542 C ALA A 29 18.563 35.190 13.529 1.00 0.20 C HETATM 543 O ALA A 29 18.122 34.531 14.480 1.00 -0.39 O HETATM 544 N ALA A 29 17.861 35.444 12.423 1.00 -0.26 N HETATM 545 CA ALA A 29 16.499 34.938 12.212 1.00 0.16 C HETATM 546 C ALA A 29 16.495 33.697 11.312 1.00 0.21 C HETATM 547 O ALA A 29 17.538 33.289 10.801 1.00 -0.39 O HETATM 548 N ALA A 29 15.322 33.088 11.146 1.00 -0.26 N HETATM 549 CA ALA A 29 15.142 31.956 10.225 1.00 0.13 C HETATM 550 C ALA A 29 15.390 32.346 8.761 1.00 0.20 C HETATM 551 O ALA A 29 15.814 31.512 7.957 1.00 -0.39 O HETATM 552 N ALA A 29 15.121 33.605 8.428 1.00 -0.26 N HETATM 553 CA ALA A 29 15.380 34.132 7.096 1.00 0.13 C HETATM 554 C ALA A 29 16.880 34.363 6.859 1.00 0.20 C HETATM 555 O ALA A 29 17.408 33.938 5.825 1.00 -0.39 O HETATM 556 N ALA A 29 17.556 35.031 7.801 1.00 -0.26 N HETATM 557 CA ALA A 29 19.001 35.311 7.671 1.00 0.16 C HETATM 558 C ALA A 29 19.882 34.056 7.768 1.00 0.21 C HETATM 559 O ALA A 29 21.011 34.064 7.287 1.00 -0.39 O HETATM 560 N ALA A 29 19.372 33.000 8.399 1.00 -0.26 N HETATM 561 CA ALA A 29 20.033 31.692 8.407 1.00 0.13 C HETATM 562 C ALA A 29 19.774 30.898 7.106 1.00 0.20 C HETATM 563 O ALA A 29 20.692 30.256 6.587 1.00 -0.39 O HETATM 564 N ALA A 29 18.539 30.935 6.592 1.00 -0.27 N HETATM 565 CA ALA A 29 18.193 30.293 5.306 1.00 0.09 C HETATM 566 C ALA A 29 18.543 31.210 4.132 1.00 0.06 C HETATM 567 O ALA A 29 19.719 31.471 3.854 1.00 -0.57 O HETATM 568 OXT ALA A 29 17.659 31.714 3.430 1.00 -0.57 O HETATM 569 CB ALA A 29 16.704 29.927 5.254 1.00 -0.03 C HETATM 570 H63 ALA A 29 16.477 29.452 4.288 1.00 0.03 H HETATM 571 H64 ALA A 29 16.098 30.838 5.366 1.00 0.03 H HETATM 572 H65 ALA A 29 16.470 29.228 6.070 1.00 0.03 H HETATM 573 H62 ALA A 29 18.781 29.368 5.214 1.00 0.07 H HETATM 574 H61 ALA A 29 17.822 31.416 7.097 1.00 0.19 H HETATM 575 CB ALA A 29 19.600 30.888 9.624 1.00 -0.02 C HETATM 576 H58 ALA A 29 20.104 29.910 9.616 1.00 0.03 H HETATM 577 H59 ALA A 29 18.511 30.739 9.597 1.00 0.03 H HETATM 578 H60 ALA A 29 19.873 31.433 10.540 1.00 0.03 H HETATM 579 H57 ALA A 29 21.117 31.865 8.482 1.00 0.08 H HETATM 580 H56 ALA A 29 18.505 33.103 8.886 1.00 0.19 H HETATM 581 CB ALA A 29 19.512 36.350 8.697 1.00 0.09 C HETATM 582 OG1 ALA A 29 19.309 35.867 10.028 1.00 -0.39 O HETATM 583 H52 ALA A 29 18.382 35.717 10.171 1.00 0.21 H HETATM 584 CG2 ALA A 29 18.807 37.690 8.519 1.00 -0.03 C HETATM 585 H53 ALA A 29 19.190 38.407 9.260 1.00 0.03 H HETATM 586 H54 ALA A 29 17.725 37.557 8.663 1.00 0.03 H HETATM 587 H55 ALA A 29 18.998 38.073 7.506 1.00 0.03 H HETATM 588 H51 ALA A 29 20.590 36.498 8.536 1.00 0.06 H HETATM 589 H50 ALA A 29 19.147 35.738 6.668 1.00 0.08 H HETATM 590 H49 ALA A 29 17.070 35.349 8.615 1.00 0.19 H HETATM 591 CB ALA A 29 14.605 35.432 6.898 1.00 0.00 C HETATM 592 CG ALA A 29 14.579 35.942 5.464 1.00 0.04 C HETATM 593 CD ALA A 29 14.579 37.459 5.382 1.00 0.17 C HETATM 594 OE1 ALA A 29 15.216 38.144 6.190 1.00 -0.40 O HETATM 595 NE2 ALA A 29 13.863 37.994 4.401 1.00 -0.30 N HETATM 596 H47 ALA A 29 13.824 38.988 4.295 1.00 0.18 H HETATM 597 H48 ALA A 29 13.363 37.404 3.768 1.00 0.18 H HETATM 598 H45 ALA A 29 13.671 35.563 4.972 1.00 0.05 H HETATM 599 H46 ALA A 29 15.467 35.561 4.939 1.00 0.05 H HETATM 600 H43 ALA A 29 15.066 36.206 7.529 1.00 0.03 H HETATM 601 H44 ALA A 29 13.567 35.265 7.222 1.00 0.03 H HETATM 602 H42 ALA A 29 15.025 33.397 6.359 1.00 0.08 H HETATM 603 H41 ALA A 29 14.726 34.212 9.118 1.00 0.19 H HETATM 604 CB ALA A 29 13.737 31.358 10.380 1.00 -0.01 C HETATM 605 CG ALA A 29 13.420 30.221 9.421 1.00 -0.04 C HETATM 606 CD ALA A 29 12.262 29.376 9.930 1.00 -0.01 C HETATM 607 CE ALA A 29 11.683 28.479 8.843 1.00 -0.04 C HETATM 608 NZ ALA A 29 10.478 27.740 9.317 1.00 0.22 N HETATM 609 H38 ALA A 29 10.125 27.160 8.572 1.00 0.20 H HETATM 610 H39 ALA A 29 9.767 28.399 9.595 1.00 0.20 H HETATM 611 H40 ALA A 29 10.726 27.162 10.104 1.00 0.20 H HETATM 612 H36 ALA A 29 12.449 27.751 8.537 1.00 0.08 H HETATM 613 H37 ALA A 29 11.402 29.101 7.980 1.00 0.08 H HETATM 614 H34 ALA A 29 11.470 30.045 10.297 1.00 0.03 H HETATM 615 H35 ALA A 29 12.620 28.745 10.757 1.00 0.03 H HETATM 616 H32 ALA A 29 14.310 29.583 9.315 1.00 0.03 H HETATM 617 H33 ALA A 29 13.152 30.643 8.441 1.00 0.03 H HETATM 618 H30 ALA A 29 13.003 32.160 10.214 1.00 0.03 H HETATM 619 H31 ALA A 29 13.638 30.977 11.407 1.00 0.03 H HETATM 620 H29 ALA A 29 15.876 31.183 10.496 1.00 0.08 H HETATM 621 H28 ALA A 29 14.533 33.413 11.668 1.00 0.19 H HETATM 622 CB ALA A 29 15.575 36.040 11.632 1.00 0.09 C HETATM 623 OG1 ALA A 29 16.125 36.560 10.418 1.00 -0.39 O HETATM 624 H24 ALA A 29 15.550 37.233 10.074 1.00 0.21 H HETATM 625 CG2 ALA A 29 15.421 37.170 12.622 1.00 -0.03 C HETATM 626 H25 ALA A 29 14.764 37.943 12.197 1.00 0.03 H HETATM 627 H26 ALA A 29 16.408 37.606 12.838 1.00 0.03 H HETATM 628 H27 ALA A 29 14.979 36.785 13.553 1.00 0.03 H HETATM 629 H23 ALA A 29 14.587 35.604 11.424 1.00 0.06 H HETATM 630 H22 ALA A 29 16.097 34.643 13.192 1.00 0.08 H HETATM 631 H21 ALA A 29 18.280 36.003 11.707 1.00 0.19 H HETATM 632 CB ALA A 29 21.010 34.848 12.905 1.00 -0.01 C HETATM 633 CG ALA A 29 20.884 33.368 13.254 1.00 -0.02 C HETATM 634 CD ALA A 29 22.221 32.629 13.317 1.00 0.06 C HETATM 635 NE ALA A 29 22.002 31.218 13.653 1.00 -0.27 N HETATM 636 CZ ALA A 29 21.674 30.747 14.864 1.00 0.29 C HETATM 637 NH1 ALA A 29 21.534 31.554 15.920 1.00 -0.28 N HETATM 638 H17 ALA A 29 21.281 31.162 16.838 1.00 0.26 H HETATM 639 H18 ALA A 29 21.679 32.568 15.816 1.00 0.26 H HETATM 640 NH2 ALA A 29 21.483 29.441 15.027 1.00 -0.28 N HETATM 641 H19 ALA A 29 21.586 28.802 14.226 1.00 0.26 H HETATM 642 H20 ALA A 29 21.232 29.069 15.954 1.00 0.26 H HETATM 643 H16 ALA A 29 22.110 30.531 12.893 1.00 0.26 H HETATM 644 H14 ALA A 29 22.857 33.092 14.086 1.00 0.07 H HETATM 645 H15 ALA A 29 22.721 32.697 12.339 1.00 0.07 H HETATM 646 H12 ALA A 29 20.257 32.885 12.490 1.00 0.03 H HETATM 647 H13 ALA A 29 20.396 33.284 14.236 1.00 0.03 H HETATM 648 H10 ALA A 29 22.014 35.183 13.205 1.00 0.03 H HETATM 649 H11 ALA A 29 20.900 34.950 11.815 1.00 0.03 H HETATM 650 H9 ALA A 29 19.974 36.736 13.037 1.00 0.08 H HETATM 651 H8 ALA A 29 20.625 35.229 15.520 1.00 0.19 H HETATM 652 CB ALA A 29 19.663 37.288 17.902 1.00 -0.00 C HETATM 653 H5 ALA A 29 19.034 36.407 17.708 1.00 0.03 H HETATM 654 H6 ALA A 29 19.074 38.202 17.736 1.00 0.03 H HETATM 655 H7 ALA A 29 20.017 37.263 18.943 1.00 0.03 H HETATM 656 H4 ALA A 29 21.450 36.370 17.161 1.00 0.11 H HETATM 657 H1 ALA A 29 22.030 38.475 18.160 1.00 0.20 H HETATM 658 H2 ALA A 29 21.223 39.306 16.991 1.00 0.20 H HETATM 659 H3 ALA A 29 22.546 38.409 16.598 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 42 41 508 CONECT 66 65 508 CONECT 186 185 509 CONECT 207 206 509 CONECT 253 252 255 508 CONECT 286 285 508 CONECT 433 432 509 CONECT 457 456 509 CONECT 508 42 66 253 286 CONECT 509 186 207 433 457 CONECT 536 537 657 658 659 CONECT 537 536 538 652 656 CONECT 538 537 539 540 CONECT 539 538 CONECT 540 538 541 651 CONECT 541 540 542 632 650 CONECT 542 541 543 544 CONECT 543 542 CONECT 544 542 545 631 CONECT 545 544 546 622 630 CONECT 546 545 547 548 CONECT 547 546 CONECT 548 546 549 621 CONECT 549 548 550 604 620 CONECT 550 549 551 552 CONECT 551 550 CONECT 552 550 553 603 CONECT 553 552 554 591 602 CONECT 554 553 555 556 CONECT 555 554 CONECT 556 554 557 590 CONECT 557 556 558 581 589 CONECT 558 557 559 560 CONECT 559 558 CONECT 560 558 561 580 CONECT 561 560 562 575 579 CONECT 562 561 563 564 CONECT 563 562 CONECT 564 562 565 574 CONECT 565 564 566 569 573 CONECT 566 565 567 568 CONECT 567 566 CONECT 568 566 CONECT 569 565 570 571 572 CONECT 570 569 CONECT 571 569 CONECT 572 569 CONECT 573 565 CONECT 574 564 CONECT 575 561 576 577 578 CONECT 576 575 CONECT 577 575 CONECT 578 575 CONECT 579 561 CONECT 580 560 CONECT 581 557 582 584 588 CONECT 582 581 583 CONECT 583 582 CONECT 584 581 585 586 587 CONECT 585 584 CONECT 586 584 CONECT 587 584 CONECT 588 581 CONECT 589 557 CONECT 590 556 CONECT 591 553 592 600 601 CONECT 592 591 593 598 599 CONECT 593 592 594 595 CONECT 594 593 CONECT 595 593 596 597 CONECT 596 595 CONECT 597 595 CONECT 598 592 CONECT 599 592 CONECT 600 591 CONECT 601 591 CONECT 602 553 CONECT 603 552 CONECT 604 549 605 618 619 CONECT 605 604 606 616 617 CONECT 606 605 607 614 615 CONECT 607 606 608 612 613 CONECT 608 607 609 610 611 CONECT 609 608 CONECT 610 608 CONECT 611 608 CONECT 612 607 CONECT 613 607 CONECT 614 606 CONECT 615 606 CONECT 616 605 CONECT 617 605 CONECT 618 604 CONECT 619 604 CONECT 620 549 CONECT 621 548 CONECT 622 545 623 625 629 CONECT 623 622 624 CONECT 624 623 CONECT 625 622 626 627 628 CONECT 626 625 CONECT 627 625 CONECT 628 625 CONECT 629 622 CONECT 630 545 CONECT 631 544 CONECT 632 541 633 648 649 CONECT 633 632 634 646 647 CONECT 634 633 635 644 645 CONECT 635 634 636 643 CONECT 636 635 637 640 CONECT 637 636 638 639 CONECT 638 637 CONECT 639 637 CONECT 640 636 641 642 CONECT 641 640 CONECT 642 640 CONECT 643 635 CONECT 644 634 CONECT 645 634 CONECT 646 633 CONECT 647 633 CONECT 648 632 CONECT 649 632 CONECT 650 541 CONECT 651 540 CONECT 652 537 653 654 655 CONECT 653 652 CONECT 654 652 CONECT 655 652 CONECT 656 537 CONECT 657 536 CONECT 658 536 CONECT 659 536 MASTER 0 0 0 0 0 0 0 0 658 1 138 5 END
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Related entries of code: 5t8r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4q6f
RCSB PDB
PDBbind
58aa, >4Q6F_1|Chains... *
6fap
RCSB PDB
PDBbind
58aa, >6FAP_1|Chains... at 100%
6fhu
RCSB PDB
PDBbind
58aa, >6FHU_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
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
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5t6z
RCSB PDB
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10-mer
5t70
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PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
5t8r
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain adjacent to zinc finger domain protein 2A
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=51uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Biochem. J. Vol. 474: pp. 1633-1651
Ligand Properties
Formula
C
3
4
H
6
6
N
1
3
O
1
2
Molecular Weight
848.968
Exact Mass
848.495
No. of atoms
125
No. of bonds
124
Polar Surface Area
445.84
LOGP Value
-5.61 (
Computed with XLOGP3
)
-5.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 25
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)C)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/C34H63N13O12/c1-15(36)26(51)43-21(10-8-14-40-34(38)39)29(54)47-25(19(5)49)32(57)45-20(9-6-7-13-35)28(53)44-22(11-12-23(37)50)30(55)46-24(18(4)48)31(56)41-16(2)27(52)42-17(3)33(58)59/h15-22,24-25,48-49H,6-14,35-36H2,1-5H3,(H2,37,50)(H,41,56)(H,42,52)(H,43,51)(H,44,53)(H,45,57)(H,46,55)(H,47,54)(H,58,59)(H4,38,39,40)/p+3/t15-,16-,17-,18+,19+,20-,21-,22-,24-,25-/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
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
11176
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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