Browse entries in the PDBbind-CN Database
HEADER 6E86_COMPLEX COMPND 6E86_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 64 GLY PRO LEU GLY SER VAL GLN HIS VAL GLY PHE LYS CYS SEQRES 2 B 64 ASP ASN CYS GLY ILE GLU PRO ILE GLN GLY VAL ARG TRP SEQRES 3 B 64 HIS CYS GLN ASP CYS PRO PRO GLU MET SER LEU ASP PHE SEQRES 4 B 64 CYS ASP SER CYS SER ASP CYS LEU HIS GLU THR ASP ILE SEQRES 5 B 64 HIS LYS GLU ASP HIS GLN LEU GLU PRO ILE TYR ARG HET ZN A 1 1 HET ZN A 2 1 HET ALA A 67 142 ATOM 1 N GLY B 811 -7.261 29.215 1.786 1.00 0.00 N ATOM 2 CA GLY B 811 -6.181 28.665 0.926 1.00 0.00 C ATOM 3 C GLY B 811 -5.410 27.536 1.612 1.00 0.00 C ATOM 4 O GLY B 811 -5.938 26.915 2.539 1.00 0.00 O ATOM 5 HN3 GLY B 811 -6.846 29.593 2.662 1.00 0.00 H ATOM 6 HN2 GLY B 811 -7.936 28.459 2.019 1.00 0.00 H ATOM 7 HN1 GLY B 811 -7.754 29.976 1.277 1.00 0.00 H ATOM 8 N PRO B 812 -4.169 27.247 1.165 1.00 0.00 N ATOM 9 CA PRO B 812 -3.300 26.208 1.736 1.00 0.00 C ATOM 10 C PRO B 812 -2.834 26.452 3.187 1.00 0.00 C ATOM 11 O PRO B 812 -3.128 27.483 3.796 1.00 0.00 O ATOM 12 CB PRO B 812 -2.090 26.117 0.797 1.00 0.00 C ATOM 13 CG PRO B 812 -2.632 26.633 -0.532 1.00 0.00 C ATOM 14 CD PRO B 812 -3.579 27.739 -0.076 1.00 0.00 C ATOM 15 N LEU B 813 -2.031 25.498 3.681 1.00 0.00 N ATOM 16 CA LEU B 813 -1.511 25.355 5.051 1.00 0.00 C ATOM 17 C LEU B 813 -2.603 25.047 6.097 1.00 0.00 C ATOM 18 O LEU B 813 -3.536 25.821 6.322 1.00 0.00 O ATOM 19 CB LEU B 813 -0.617 26.534 5.481 1.00 0.00 C ATOM 20 CG LEU B 813 0.434 27.029 4.469 1.00 0.00 C ATOM 21 CD1 LEU B 813 1.278 28.117 5.129 1.00 0.00 C ATOM 22 CD2 LEU B 813 1.376 25.922 4.004 1.00 0.00 C ATOM 23 H LEU B 813 -1.737 24.762 3.007 1.00 0.00 H ATOM 24 N GLY B 814 -2.465 23.887 6.749 1.00 0.00 N ATOM 25 CA GLY B 814 -3.418 23.389 7.758 1.00 0.00 C ATOM 26 C GLY B 814 -4.741 22.868 7.177 1.00 0.00 C ATOM 27 O GLY B 814 -5.682 22.602 7.924 1.00 0.00 O ATOM 28 H GLY B 814 -1.634 23.300 6.531 1.00 0.00 H ATOM 29 N SER B 815 -4.812 22.703 5.849 1.00 0.00 N ATOM 30 CA SER B 815 -6.025 22.418 5.071 1.00 0.00 C ATOM 31 C SER B 815 -5.824 21.386 3.941 1.00 0.00 C ATOM 32 O SER B 815 -6.750 21.097 3.180 1.00 0.00 O ATOM 33 CB SER B 815 -6.518 23.749 4.489 1.00 0.00 C ATOM 34 OG SER B 815 -5.538 24.270 3.602 1.00 0.00 O ATOM 35 HG SER B 815 -5.857 25.129 3.227 1.00 0.00 H ATOM 36 H SER B 815 -3.922 22.785 5.318 1.00 0.00 H ATOM 37 N VAL B 816 -4.612 20.827 3.811 1.00 0.00 N ATOM 38 CA VAL B 816 -4.167 19.999 2.690 1.00 0.00 C ATOM 39 C VAL B 816 -4.795 18.612 2.743 1.00 0.00 C ATOM 40 O VAL B 816 -4.711 17.944 3.764 1.00 0.00 O ATOM 41 CB VAL B 816 -2.632 19.910 2.753 1.00 0.00 C ATOM 42 CG1 VAL B 816 -2.021 19.046 1.668 1.00 0.00 C ATOM 43 CG2 VAL B 816 -1.976 21.291 2.680 1.00 0.00 C ATOM 44 H VAL B 816 -3.927 20.997 4.575 1.00 0.00 H ATOM 45 N GLN B 817 -5.386 18.164 1.637 1.00 0.00 N ATOM 46 CA GLN B 817 -6.073 16.874 1.544 1.00 0.00 C ATOM 47 C GLN B 817 -5.292 15.869 0.689 1.00 0.00 C ATOM 48 O GLN B 817 -5.131 16.072 -0.516 1.00 0.00 O ATOM 49 CB GLN B 817 -7.492 17.092 1.000 1.00 0.00 C ATOM 50 CG GLN B 817 -7.604 17.961 -0.270 1.00 0.00 C ATOM 51 CD GLN B 817 -8.284 17.236 -1.427 1.00 0.00 C ATOM 52 OE1 GLN B 817 -9.441 17.457 -1.761 1.00 0.00 O ATOM 53 NE2 GLN B 817 -7.580 16.330 -2.068 1.00 0.00 N ATOM 54 HE22 GLN B 817 -6.597 16.140 -1.786 1.00 0.00 H ATOM 55 HE21 GLN B 817 -8.006 15.803 -2.857 1.00 0.00 H ATOM 56 H GLN B 817 -5.358 18.766 0.789 1.00 0.00 H ATOM 57 N HIS B 818 -4.867 14.747 1.280 1.00 0.00 N ATOM 58 CA HIS B 818 -4.059 13.735 0.591 1.00 0.00 C ATOM 59 C HIS B 818 -4.848 12.456 0.319 1.00 0.00 C ATOM 60 O HIS B 818 -4.605 11.393 0.887 1.00 0.00 O ATOM 61 CB HIS B 818 -2.710 13.564 1.298 1.00 0.00 C ATOM 62 CG HIS B 818 -1.630 14.310 0.560 1.00 0.00 C ATOM 63 ND1 HIS B 818 -1.140 13.970 -0.699 1.00 0.00 N ATOM 64 CD2 HIS B 818 -1.083 15.496 0.932 1.00 0.00 C ATOM 65 CE1 HIS B 818 -0.325 14.968 -1.068 1.00 0.00 C ATOM 66 NE2 HIS B 818 -0.259 15.888 -0.098 1.00 0.00 N ATOM 67 H HIS B 818 -5.121 14.584 2.275 1.00 0.00 H ATOM 68 N VAL B 819 -5.820 12.587 -0.583 1.00 0.00 N ATOM 69 CA VAL B 819 -6.585 11.489 -1.184 1.00 0.00 C ATOM 70 C VAL B 819 -5.610 10.499 -1.833 1.00 0.00 C ATOM 71 O VAL B 819 -4.886 10.850 -2.764 1.00 0.00 O ATOM 72 CB VAL B 819 -7.648 12.058 -2.142 1.00 0.00 C ATOM 73 CG1 VAL B 819 -8.435 10.963 -2.862 1.00 0.00 C ATOM 74 CG2 VAL B 819 -8.660 12.883 -1.332 1.00 0.00 C ATOM 75 H VAL B 819 -6.057 13.553 -0.888 1.00 0.00 H ATOM 76 N GLY B 820 -5.555 9.281 -1.283 1.00 0.00 N ATOM 77 CA GLY B 820 -4.549 8.263 -1.605 1.00 0.00 C ATOM 78 C GLY B 820 -3.455 8.045 -0.550 1.00 0.00 C ATOM 79 O GLY B 820 -2.563 7.234 -0.784 1.00 0.00 O ATOM 80 H GLY B 820 -6.278 9.038 -0.576 1.00 0.00 H ATOM 81 N PHE B 821 -3.493 8.712 0.609 1.00 0.00 N ATOM 82 CA PHE B 821 -2.490 8.530 1.671 1.00 0.00 C ATOM 83 C PHE B 821 -3.144 8.462 3.057 1.00 0.00 C ATOM 84 O PHE B 821 -3.248 9.460 3.766 1.00 0.00 O ATOM 85 CB PHE B 821 -1.440 9.644 1.609 1.00 0.00 C ATOM 86 CG PHE B 821 -0.807 9.932 0.263 1.00 0.00 C ATOM 87 CD1 PHE B 821 0.530 9.577 0.011 1.00 0.00 C ATOM 88 CD2 PHE B 821 -1.514 10.694 -0.683 1.00 0.00 C ATOM 89 CE1 PHE B 821 1.154 9.987 -1.185 1.00 0.00 C ATOM 90 CE2 PHE B 821 -0.893 11.117 -1.865 1.00 0.00 C ATOM 91 CZ PHE B 821 0.448 10.790 -2.101 1.00 0.00 C ATOM 92 H PHE B 821 -4.266 9.390 0.767 1.00 0.00 H ATOM 93 N LYS B 822 -3.599 7.271 3.445 1.00 0.00 N ATOM 94 CA LYS B 822 -4.154 6.990 4.783 1.00 0.00 C ATOM 95 C LYS B 822 -2.985 6.747 5.758 1.00 0.00 C ATOM 96 O LYS B 822 -1.986 6.130 5.379 1.00 0.00 O ATOM 97 CB LYS B 822 -5.166 5.829 4.638 1.00 0.00 C ATOM 98 CG LYS B 822 -5.657 5.100 5.915 1.00 0.00 C ATOM 99 CD LYS B 822 -5.644 3.565 5.851 1.00 0.00 C ATOM 100 CE LYS B 822 -4.230 2.967 5.891 1.00 0.00 C ATOM 101 NZ LYS B 822 -4.275 1.473 5.954 1.00 0.00 N ATOM 102 HZ1 LYS B 822 -4.784 1.179 6.812 1.00 0.00 H ATOM 103 HZ2 LYS B 822 -4.767 1.106 5.114 1.00 0.00 H ATOM 104 HZ3 LYS B 822 -3.305 1.099 5.980 1.00 0.00 H ATOM 105 H LYS B 822 -3.560 6.489 2.760 1.00 0.00 H ATOM 106 N CYS B 823 -3.089 7.250 6.983 1.00 0.00 N ATOM 107 CA CYS B 823 -2.059 7.164 8.013 1.00 0.00 C ATOM 108 C CYS B 823 -1.764 5.712 8.447 1.00 0.00 C ATOM 109 O CYS B 823 -2.615 4.822 8.393 1.00 0.00 O ATOM 110 CB CYS B 823 -2.519 8.061 9.165 1.00 0.00 C ATOM 111 SG CYS B 823 -1.390 8.158 10.587 1.00 0.00 S ATOM 112 H CYS B 823 -3.972 7.743 7.227 1.00 0.00 H ATOM 113 N ASP B 824 -0.536 5.507 8.903 1.00 0.00 N ATOM 114 CA ASP B 824 -0.040 4.263 9.498 1.00 0.00 C ATOM 115 C ASP B 824 -0.086 4.261 11.032 1.00 0.00 C ATOM 116 O ASP B 824 -0.254 3.203 11.643 1.00 0.00 O ATOM 117 CB ASP B 824 1.388 4.033 9.009 1.00 0.00 C ATOM 118 CG ASP B 824 1.386 3.619 7.536 1.00 0.00 C ATOM 119 OD1 ASP B 824 1.753 4.457 6.681 1.00 0.00 O ATOM 120 OD2 ASP B 824 1.001 2.466 7.232 1.00 0.00 O ATOM 121 H ASP B 824 0.134 6.299 8.832 1.00 0.00 H ATOM 122 N ASN B 825 0.048 5.432 11.658 1.00 0.00 N ATOM 123 CA ASN B 825 -0.012 5.564 13.116 1.00 0.00 C ATOM 124 C ASN B 825 -1.409 5.265 13.690 1.00 0.00 C ATOM 125 O ASN B 825 -1.550 4.381 14.541 1.00 0.00 O ATOM 126 CB ASN B 825 0.432 6.971 13.522 1.00 0.00 C ATOM 127 CG ASN B 825 0.568 7.121 15.031 1.00 0.00 C ATOM 128 OD1 ASN B 825 0.932 6.201 15.750 1.00 0.00 O ATOM 129 ND2 ASN B 825 0.288 8.289 15.555 1.00 0.00 N ATOM 130 HD22 ASN B 825 -0.022 9.072 14.945 1.00 0.00 H ATOM 131 HD21 ASN B 825 0.375 8.433 16.581 1.00 0.00 H ATOM 132 H ASN B 825 0.202 6.287 11.087 1.00 0.00 H ATOM 133 N CYS B 826 -2.428 6.003 13.232 1.00 0.00 N ATOM 134 CA CYS B 826 -3.784 5.950 13.763 1.00 0.00 C ATOM 135 C CYS B 826 -4.805 5.290 12.802 1.00 0.00 C ATOM 136 O CYS B 826 -5.903 4.906 13.217 1.00 0.00 O ATOM 137 CB CYS B 826 -4.143 7.368 14.252 1.00 0.00 C ATOM 138 SG CYS B 826 -4.644 8.474 12.899 1.00 0.00 S ATOM 139 H CYS B 826 -2.239 6.657 12.446 1.00 0.00 H ATOM 140 N GLY B 827 -4.432 5.123 11.527 1.00 0.00 N ATOM 141 CA GLY B 827 -5.213 4.437 10.506 1.00 0.00 C ATOM 142 C GLY B 827 -6.254 5.326 9.832 1.00 0.00 C ATOM 143 O GLY B 827 -7.091 4.823 9.080 1.00 0.00 O ATOM 144 H GLY B 827 -3.511 5.514 11.243 1.00 0.00 H ATOM 145 N ILE B 828 -6.220 6.638 10.096 1.00 0.00 N ATOM 146 CA ILE B 828 -7.132 7.602 9.499 1.00 0.00 C ATOM 147 C ILE B 828 -6.979 7.658 7.980 1.00 0.00 C ATOM 148 O ILE B 828 -5.878 7.687 7.438 1.00 0.00 O ATOM 149 CB ILE B 828 -6.989 8.993 10.144 1.00 0.00 C ATOM 150 CG1 ILE B 828 -8.062 9.971 9.612 1.00 0.00 C ATOM 151 CG2 ILE B 828 -5.594 9.590 9.917 1.00 0.00 C ATOM 152 CD1 ILE B 828 -8.256 11.220 10.483 1.00 0.00 C ATOM 153 H ILE B 828 -5.503 6.987 10.764 1.00 0.00 H ATOM 154 N GLU B 829 -8.119 7.715 7.305 1.00 0.00 N ATOM 155 CA GLU B 829 -8.243 7.916 5.873 1.00 0.00 C ATOM 156 C GLU B 829 -7.508 9.177 5.415 1.00 0.00 C ATOM 157 O GLU B 829 -7.406 10.128 6.191 1.00 0.00 O ATOM 158 CB GLU B 829 -9.711 8.012 5.429 1.00 0.00 C ATOM 159 CG GLU B 829 -10.725 8.509 6.473 1.00 0.00 C ATOM 160 CD GLU B 829 -12.116 8.808 5.867 1.00 0.00 C ATOM 161 OE1 GLU B 829 -12.612 8.027 5.017 1.00 0.00 O ATOM 162 OE2 GLU B 829 -12.744 9.821 6.264 1.00 0.00 O ATOM 163 H GLU B 829 -8.999 7.606 7.848 1.00 0.00 H ATOM 164 N PRO B 830 -7.026 9.190 4.156 1.00 0.00 N ATOM 165 CA PRO B 830 -6.441 10.332 3.492 1.00 0.00 C ATOM 166 C PRO B 830 -6.091 11.577 4.320 1.00 0.00 C ATOM 167 O PRO B 830 -6.921 12.471 4.507 1.00 0.00 O ATOM 168 CB PRO B 830 -7.445 10.597 2.393 1.00 0.00 C ATOM 169 CG PRO B 830 -7.990 9.239 1.983 1.00 0.00 C ATOM 170 CD PRO B 830 -7.422 8.313 3.051 1.00 0.00 C ATOM 171 N ILE B 831 -4.846 11.616 4.801 1.00 0.00 N ATOM 172 CA ILE B 831 -4.336 12.577 5.789 1.00 0.00 C ATOM 173 C ILE B 831 -4.702 14.025 5.454 1.00 0.00 C ATOM 174 O ILE B 831 -4.614 14.461 4.301 1.00 0.00 O ATOM 175 CB ILE B 831 -2.812 12.390 5.956 1.00 0.00 C ATOM 176 CG1 ILE B 831 -2.529 11.021 6.617 1.00 0.00 C ATOM 177 CG2 ILE B 831 -2.163 13.532 6.768 1.00 0.00 C ATOM 178 CD1 ILE B 831 -1.121 10.529 6.305 1.00 0.00 C ATOM 179 H ILE B 831 -4.178 10.903 4.445 1.00 0.00 H ATOM 180 N GLN B 832 -5.107 14.760 6.494 1.00 0.00 N ATOM 181 CA GLN B 832 -5.548 16.149 6.380 1.00 0.00 C ATOM 182 C GLN B 832 -4.577 17.108 7.089 1.00 0.00 C ATOM 183 O GLN B 832 -4.057 16.814 8.166 1.00 0.00 O ATOM 184 CB GLN B 832 -6.980 16.294 6.919 1.00 0.00 C ATOM 185 CG GLN B 832 -8.014 15.368 6.252 1.00 0.00 C ATOM 186 CD GLN B 832 -8.345 15.760 4.811 1.00 0.00 C ATOM 187 OE1 GLN B 832 -8.690 16.893 4.505 1.00 0.00 O ATOM 188 NE2 GLN B 832 -8.290 14.839 3.874 1.00 0.00 N ATOM 189 HE22 GLN B 832 -7.999 13.870 4.114 1.00 0.00 H ATOM 190 HE21 GLN B 832 -8.537 15.080 2.893 1.00 0.00 H ATOM 191 H GLN B 832 -5.109 14.320 7.436 1.00 0.00 H ATOM 192 N GLY B 833 -4.358 18.279 6.486 1.00 0.00 N ATOM 193 CA GLY B 833 -3.587 19.395 7.039 1.00 0.00 C ATOM 194 C GLY B 833 -2.241 19.613 6.376 1.00 0.00 C ATOM 195 O GLY B 833 -1.989 20.670 5.801 1.00 0.00 O ATOM 196 H GLY B 833 -4.771 18.410 5.541 1.00 0.00 H ATOM 197 N VAL B 834 -1.414 18.580 6.462 1.00 0.00 N ATOM 198 CA VAL B 834 -0.073 18.392 5.921 1.00 0.00 C ATOM 199 C VAL B 834 0.156 16.875 5.879 1.00 0.00 C ATOM 200 O VAL B 834 -0.221 16.188 6.833 1.00 0.00 O ATOM 201 CB VAL B 834 0.918 19.132 6.841 1.00 0.00 C ATOM 202 CG1 VAL B 834 1.019 18.536 8.241 1.00 0.00 C ATOM 203 CG2 VAL B 834 2.335 19.246 6.275 1.00 0.00 C ATOM 204 H VAL B 834 -1.782 17.772 7.004 1.00 0.00 H ATOM 205 N ARG B 835 0.714 16.316 4.800 1.00 0.00 N ATOM 206 CA ARG B 835 1.120 14.894 4.807 1.00 0.00 C ATOM 207 C ARG B 835 2.523 14.774 5.396 1.00 0.00 C ATOM 208 O ARG B 835 3.280 15.739 5.344 1.00 0.00 O ATOM 209 CB ARG B 835 0.959 14.288 3.407 1.00 0.00 C ATOM 210 CG ARG B 835 1.275 12.787 3.336 1.00 0.00 C ATOM 211 CD ARG B 835 0.879 12.191 1.986 1.00 0.00 C ATOM 212 NE ARG B 835 1.728 12.666 0.876 1.00 0.00 N ATOM 213 CZ ARG B 835 2.862 12.120 0.471 1.00 0.00 C ATOM 214 NH1 ARG B 835 3.377 11.087 1.060 1.00 0.00 N ATOM 215 NH2 ARG B 835 3.514 12.603 -0.547 1.00 0.00 N ATOM 216 HE ARG B 835 1.403 13.511 0.364 1.00 0.00 H ATOM 217 HH12 ARG B 835 4.271 10.683 0.714 1.00 0.00 H ATOM 218 HH11 ARG B 835 2.896 10.662 1.878 1.00 0.00 H ATOM 219 HH22 ARG B 835 4.405 12.161 -0.852 1.00 0.00 H ATOM 220 HH21 ARG B 835 3.144 13.431 -1.056 1.00 0.00 H ATOM 221 H ARG B 835 0.864 16.889 3.945 1.00 0.00 H ATOM 222 N TRP B 836 2.883 13.597 5.903 1.00 0.00 N ATOM 223 CA TRP B 836 4.244 13.322 6.373 1.00 0.00 C ATOM 224 C TRP B 836 4.774 12.081 5.691 1.00 0.00 C ATOM 225 O TRP B 836 4.460 10.966 6.098 1.00 0.00 O ATOM 226 CB TRP B 836 4.320 13.233 7.889 1.00 0.00 C ATOM 227 CG TRP B 836 4.261 14.575 8.544 1.00 0.00 C ATOM 228 CD1 TRP B 836 3.170 15.241 8.987 1.00 0.00 C ATOM 229 CD2 TRP B 836 5.395 15.440 8.824 1.00 0.00 C ATOM 230 NE1 TRP B 836 3.580 16.413 9.608 1.00 0.00 N ATOM 231 CE2 TRP B 836 4.949 16.540 9.604 1.00 0.00 C ATOM 232 CE3 TRP B 836 6.770 15.365 8.542 1.00 0.00 C ATOM 233 CZ2 TRP B 836 5.837 17.456 10.181 1.00 0.00 C ATOM 234 CZ3 TRP B 836 7.679 16.254 9.133 1.00 0.00 C ATOM 235 CH2 TRP B 836 7.219 17.283 9.974 1.00 0.00 C ATOM 236 HE1 TRP B 836 2.931 17.110 10.025 1.00 0.00 H ATOM 237 H TRP B 836 2.170 12.842 5.968 1.00 0.00 H ATOM 238 N HIS B 837 5.535 12.312 4.627 1.00 0.00 N ATOM 239 CA HIS B 837 6.097 11.287 3.755 1.00 0.00 C ATOM 240 C HIS B 837 7.383 10.754 4.374 1.00 0.00 C ATOM 241 O HIS B 837 8.367 11.486 4.496 1.00 0.00 O ATOM 242 CB HIS B 837 6.358 11.918 2.379 1.00 0.00 C ATOM 243 CG HIS B 837 6.871 10.942 1.354 1.00 0.00 C ATOM 244 ND1 HIS B 837 6.080 10.074 0.599 1.00 0.00 N ATOM 245 CD2 HIS B 837 8.179 10.742 1.036 1.00 0.00 C ATOM 246 CE1 HIS B 837 6.936 9.357 -0.152 1.00 0.00 C ATOM 247 NE2 HIS B 837 8.203 9.740 0.088 1.00 0.00 N ATOM 248 H HIS B 837 5.747 13.304 4.397 1.00 0.00 H ATOM 249 N CYS B 838 7.395 9.491 4.776 1.00 0.00 N ATOM 250 CA CYS B 838 8.607 8.836 5.245 1.00 0.00 C ATOM 251 C CYS B 838 9.751 8.907 4.216 1.00 0.00 C ATOM 252 O CYS B 838 9.591 8.492 3.066 1.00 0.00 O ATOM 253 CB CYS B 838 8.266 7.390 5.560 1.00 0.00 C ATOM 254 SG CYS B 838 7.826 7.198 7.288 1.00 0.00 S ATOM 255 H CYS B 838 6.507 8.949 4.756 1.00 0.00 H ATOM 256 N GLN B 839 10.914 9.423 4.635 1.00 0.00 N ATOM 257 CA GLN B 839 12.036 9.681 3.727 1.00 0.00 C ATOM 258 C GLN B 839 12.883 8.437 3.425 1.00 0.00 C ATOM 259 O GLN B 839 13.421 8.315 2.323 1.00 0.00 O ATOM 260 CB GLN B 839 12.930 10.787 4.302 1.00 0.00 C ATOM 261 CG GLN B 839 12.164 12.119 4.439 1.00 0.00 C ATOM 262 CD GLN B 839 13.030 13.376 4.319 1.00 0.00 C ATOM 263 OE1 GLN B 839 13.986 13.452 3.555 1.00 0.00 O ATOM 264 NE2 GLN B 839 12.710 14.433 5.035 1.00 0.00 N ATOM 265 HE22 GLN B 839 11.903 14.393 5.690 1.00 0.00 H ATOM 266 HE21 GLN B 839 13.264 15.309 4.946 1.00 0.00 H ATOM 267 H GLN B 839 11.025 9.649 5.644 1.00 0.00 H ATOM 268 N ASP B 840 13.013 7.528 4.398 1.00 0.00 N ATOM 269 CA ASP B 840 13.920 6.371 4.297 1.00 0.00 C ATOM 270 C ASP B 840 13.185 5.038 4.073 1.00 0.00 C ATOM 271 O ASP B 840 13.719 4.138 3.420 1.00 0.00 O ATOM 272 CB ASP B 840 14.766 6.315 5.569 1.00 0.00 C ATOM 273 CG ASP B 840 15.868 5.236 5.512 1.00 0.00 C ATOM 274 OD1 ASP B 840 15.981 4.433 6.469 1.00 0.00 O ATOM 275 OD2 ASP B 840 16.664 5.221 4.541 1.00 0.00 O ATOM 276 H ASP B 840 12.449 7.643 5.264 1.00 0.00 H ATOM 277 N CYS B 841 11.944 4.922 4.566 1.00 0.00 N ATOM 278 CA CYS B 841 11.094 3.759 4.301 1.00 0.00 C ATOM 279 C CYS B 841 10.794 3.642 2.776 1.00 0.00 C ATOM 280 O CYS B 841 10.580 4.668 2.119 1.00 0.00 O ATOM 281 CB CYS B 841 9.856 3.790 5.215 1.00 0.00 C ATOM 282 SG CYS B 841 10.350 3.872 6.979 1.00 0.00 S ATOM 283 H CYS B 841 11.570 5.689 5.161 1.00 0.00 H ATOM 284 N PRO B 842 10.776 2.425 2.185 1.00 0.00 N ATOM 285 CA PRO B 842 10.747 2.234 0.731 1.00 0.00 C ATOM 286 C PRO B 842 9.409 2.604 0.065 1.00 0.00 C ATOM 287 O PRO B 842 8.365 2.454 0.702 1.00 0.00 O ATOM 288 CB PRO B 842 11.093 0.753 0.522 1.00 0.00 C ATOM 289 CG PRO B 842 10.517 0.086 1.768 1.00 0.00 C ATOM 290 CD PRO B 842 10.751 1.133 2.858 1.00 0.00 C ATOM 291 N PRO B 843 9.392 2.969 -1.236 1.00 0.00 N ATOM 292 CA PRO B 843 8.163 3.258 -1.998 1.00 0.00 C ATOM 293 C PRO B 843 7.123 2.126 -2.002 1.00 0.00 C ATOM 294 O PRO B 843 5.921 2.381 -2.041 1.00 0.00 O ATOM 295 CB PRO B 843 8.643 3.541 -3.427 1.00 0.00 C ATOM 296 CG PRO B 843 10.039 4.116 -3.220 1.00 0.00 C ATOM 297 CD PRO B 843 10.563 3.282 -2.053 1.00 0.00 C ATOM 298 N GLU B 844 7.574 0.870 -1.908 1.00 0.00 N ATOM 299 CA GLU B 844 6.702 -0.306 -1.776 1.00 0.00 C ATOM 300 C GLU B 844 5.813 -0.228 -0.520 1.00 0.00 C ATOM 301 O GLU B 844 4.622 -0.540 -0.580 1.00 0.00 O ATOM 302 CB GLU B 844 7.580 -1.572 -1.782 1.00 0.00 C ATOM 303 CG GLU B 844 6.768 -2.876 -1.704 1.00 0.00 C ATOM 304 CD GLU B 844 7.643 -4.142 -1.865 1.00 0.00 C ATOM 305 OE1 GLU B 844 7.510 -5.081 -1.041 1.00 0.00 O ATOM 306 OE2 GLU B 844 8.448 -4.231 -2.826 1.00 0.00 O ATOM 307 H GLU B 844 8.602 0.717 -1.930 1.00 0.00 H ATOM 308 N MET B 845 6.368 0.268 0.593 1.00 0.00 N ATOM 309 CA MET B 845 5.626 0.562 1.829 1.00 0.00 C ATOM 310 C MET B 845 4.933 1.935 1.791 1.00 0.00 C ATOM 311 O MET B 845 3.764 2.032 2.156 1.00 0.00 O ATOM 312 CB MET B 845 6.564 0.482 3.047 1.00 0.00 C ATOM 313 CG MET B 845 7.009 -0.952 3.363 1.00 0.00 C ATOM 314 SD MET B 845 5.715 -2.065 3.997 1.00 0.00 S ATOM 315 CE MET B 845 5.424 -1.374 5.652 1.00 0.00 C ATOM 316 H MET B 845 7.390 0.458 0.583 1.00 0.00 H ATOM 317 N SER B 846 5.664 2.981 1.371 1.00 0.00 N ATOM 318 CA SER B 846 5.314 4.414 1.355 1.00 0.00 C ATOM 319 C SER B 846 4.415 4.814 2.536 1.00 0.00 C ATOM 320 O SER B 846 3.182 4.876 2.456 1.00 0.00 O ATOM 321 CB SER B 846 4.773 4.853 -0.006 1.00 0.00 C ATOM 322 OG SER B 846 4.632 6.264 -0.035 1.00 0.00 O ATOM 323 HG SER B 846 4.002 6.546 0.675 1.00 0.00 H ATOM 324 H SER B 846 6.609 2.748 1.006 1.00 0.00 H ATOM 325 N LEU B 847 5.078 4.962 3.686 1.00 0.00 N ATOM 326 CA LEU B 847 4.449 5.212 4.977 1.00 0.00 C ATOM 327 C LEU B 847 4.085 6.692 5.167 1.00 0.00 C ATOM 328 O LEU B 847 4.749 7.571 4.610 1.00 0.00 O ATOM 329 CB LEU B 847 5.382 4.710 6.082 1.00 0.00 C ATOM 330 CG LEU B 847 5.325 3.168 6.239 1.00 0.00 C ATOM 331 CD1 LEU B 847 6.731 2.600 6.088 1.00 0.00 C ATOM 332 CD2 LEU B 847 4.663 2.674 7.528 1.00 0.00 C ATOM 333 H LEU B 847 6.115 4.894 3.658 1.00 0.00 H ATOM 334 N ASP B 848 3.040 6.965 5.964 1.00 0.00 N ATOM 335 CA ASP B 848 2.533 8.320 6.169 1.00 0.00 C ATOM 336 C ASP B 848 1.994 8.567 7.579 1.00 0.00 C ATOM 337 O ASP B 848 1.435 7.663 8.207 1.00 0.00 O ATOM 338 CB ASP B 848 1.437 8.694 5.173 1.00 0.00 C ATOM 339 CG ASP B 848 1.847 8.593 3.702 1.00 0.00 C ATOM 340 OD1 ASP B 848 1.409 7.621 3.042 1.00 0.00 O ATOM 341 OD2 ASP B 848 2.509 9.534 3.210 1.00 0.00 O ATOM 342 H ASP B 848 2.571 6.178 6.457 1.00 0.00 H ATOM 343 N PHE B 849 2.110 9.822 8.031 1.00 0.00 N ATOM 344 CA PHE B 849 1.595 10.281 9.324 1.00 0.00 C ATOM 345 C PHE B 849 0.846 11.622 9.228 1.00 0.00 C ATOM 346 O PHE B 849 1.176 12.471 8.394 1.00 0.00 O ATOM 347 CB PHE B 849 2.731 10.365 10.362 1.00 0.00 C ATOM 348 CG PHE B 849 3.549 9.102 10.567 1.00 0.00 C ATOM 349 CD1 PHE B 849 3.365 8.350 11.739 1.00 0.00 C ATOM 350 CD2 PHE B 849 4.497 8.666 9.619 1.00 0.00 C ATOM 351 CE1 PHE B 849 4.032 7.126 11.928 1.00 0.00 C ATOM 352 CE2 PHE B 849 5.172 7.456 9.820 1.00 0.00 C ATOM 353 CZ PHE B 849 4.929 6.652 10.955 1.00 0.00 C ATOM 354 H PHE B 849 2.596 10.515 7.426 1.00 0.00 H ATOM 355 N CYS B 850 -0.147 11.829 10.095 1.00 0.00 N ATOM 356 CA CYS B 850 -0.806 13.114 10.293 1.00 0.00 C ATOM 357 C CYS B 850 0.112 14.189 10.928 1.00 0.00 C ATOM 358 O CYS B 850 1.201 13.893 11.422 1.00 0.00 O ATOM 359 CB CYS B 850 -2.040 12.888 11.181 1.00 0.00 C ATOM 360 SG CYS B 850 -3.107 11.558 10.593 1.00 0.00 S ATOM 361 H CYS B 850 -0.471 11.022 10.666 1.00 0.00 H ATOM 362 N ASP B 851 -0.379 15.434 10.995 1.00 0.00 N ATOM 363 CA ASP B 851 0.285 16.574 11.638 1.00 0.00 C ATOM 364 C ASP B 851 0.675 16.336 13.118 1.00 0.00 C ATOM 365 O ASP B 851 1.663 16.898 13.594 1.00 0.00 O ATOM 366 CB ASP B 851 -0.613 17.823 11.526 1.00 0.00 C ATOM 367 CG ASP B 851 -1.825 17.864 12.487 1.00 0.00 C ATOM 368 OD1 ASP B 851 -2.039 18.919 13.132 1.00 0.00 O ATOM 369 OD2 ASP B 851 -2.585 16.869 12.584 1.00 0.00 O ATOM 370 H ASP B 851 -1.306 15.606 10.556 1.00 0.00 H ATOM 371 N SER B 852 -0.097 15.512 13.834 1.00 0.00 N ATOM 372 CA SER B 852 0.183 15.057 15.199 1.00 0.00 C ATOM 373 C SER B 852 1.001 13.755 15.240 1.00 0.00 C ATOM 374 O SER B 852 1.955 13.616 16.015 1.00 0.00 O ATOM 375 CB SER B 852 -1.141 14.877 15.954 1.00 0.00 C ATOM 376 OG SER B 852 -0.908 14.525 17.311 1.00 0.00 O ATOM 377 HG SER B 852 -1.775 14.415 17.776 1.00 0.00 H ATOM 378 H SER B 852 -0.969 15.165 13.385 1.00 0.00 H ATOM 379 N CYS B 853 0.670 12.798 14.369 1.00 0.00 N ATOM 380 CA CYS B 853 1.224 11.456 14.345 1.00 0.00 C ATOM 381 C CYS B 853 2.697 11.435 13.895 1.00 0.00 C ATOM 382 O CYS B 853 3.447 10.524 14.243 1.00 0.00 O ATOM 383 CB CYS B 853 0.366 10.637 13.391 1.00 0.00 C ATOM 384 SG CYS B 853 -1.335 10.419 13.984 1.00 0.00 S ATOM 385 H CYS B 853 -0.043 13.033 13.649 1.00 0.00 H ATOM 386 N SER B 854 3.102 12.410 13.087 1.00 0.00 N ATOM 387 CA SER B 854 4.476 12.587 12.616 1.00 0.00 C ATOM 388 C SER B 854 5.482 12.782 13.759 1.00 0.00 C ATOM 389 O SER B 854 6.666 12.477 13.601 1.00 0.00 O ATOM 390 CB SER B 854 4.494 13.805 11.702 1.00 0.00 C ATOM 391 OG SER B 854 4.227 14.984 12.446 1.00 0.00 O ATOM 392 HG SER B 854 4.242 15.766 11.839 1.00 0.00 H ATOM 393 H SER B 854 2.390 13.097 12.766 1.00 0.00 H ATOM 394 N ASP B 855 5.006 13.219 14.930 1.00 0.00 N ATOM 395 CA ASP B 855 5.782 13.344 16.164 1.00 0.00 C ATOM 396 C ASP B 855 5.855 12.021 16.959 1.00 0.00 C ATOM 397 O ASP B 855 6.581 11.920 17.951 1.00 0.00 O ATOM 398 CB ASP B 855 5.182 14.470 17.025 1.00 0.00 C ATOM 399 CG ASP B 855 6.113 14.961 18.154 1.00 0.00 C ATOM 400 OD1 ASP B 855 7.345 15.091 17.946 1.00 0.00 O ATOM 401 OD2 ASP B 855 5.601 15.284 19.254 1.00 0.00 O ATOM 402 H ASP B 855 4.003 13.492 14.966 1.00 0.00 H ATOM 403 N CYS B 856 5.092 10.998 16.542 1.00 0.00 N ATOM 404 CA CYS B 856 4.932 9.747 17.286 1.00 0.00 C ATOM 405 C CYS B 856 6.127 8.784 17.151 1.00 0.00 C ATOM 406 O CYS B 856 6.305 7.899 17.991 1.00 0.00 O ATOM 407 CB CYS B 856 3.610 9.094 16.851 1.00 0.00 C ATOM 408 SG CYS B 856 3.017 7.961 18.141 1.00 0.00 S ATOM 409 H CYS B 856 4.586 11.100 15.639 1.00 0.00 H ATOM 410 N LEU B 857 6.954 8.986 16.116 1.00 0.00 N ATOM 411 CA LEU B 857 8.230 8.300 15.879 1.00 0.00 C ATOM 412 C LEU B 857 8.114 6.768 15.948 1.00 0.00 C ATOM 413 O LEU B 857 8.605 6.105 16.866 1.00 0.00 O ATOM 414 CB LEU B 857 9.302 8.906 16.802 1.00 0.00 C ATOM 415 CG LEU B 857 10.746 8.464 16.474 1.00 0.00 C ATOM 416 CD1 LEU B 857 11.043 8.512 14.968 1.00 0.00 C ATOM 417 CD2 LEU B 857 11.736 9.377 17.194 1.00 0.00 C ATOM 418 H LEU B 857 6.664 9.696 15.414 1.00 0.00 H ATOM 419 N HIS B 858 7.394 6.221 14.968 1.00 0.00 N ATOM 420 CA HIS B 858 6.965 4.828 14.944 1.00 0.00 C ATOM 421 C HIS B 858 7.914 3.911 14.183 1.00 0.00 C ATOM 422 O HIS B 858 8.719 4.362 13.372 1.00 0.00 O ATOM 423 CB HIS B 858 5.523 4.771 14.423 1.00 0.00 C ATOM 424 CG HIS B 858 4.862 3.424 14.562 1.00 0.00 C ATOM 425 ND1 HIS B 858 4.454 2.838 15.764 1.00 0.00 N ATOM 426 CD2 HIS B 858 4.609 2.562 13.533 1.00 0.00 C ATOM 427 CE1 HIS B 858 3.943 1.641 15.431 1.00 0.00 C ATOM 428 NE2 HIS B 858 4.019 1.451 14.099 1.00 0.00 N ATOM 429 H HIS B 858 7.121 6.828 14.169 1.00 0.00 H ATOM 430 N GLU B 859 7.810 2.611 14.461 1.00 0.00 N ATOM 431 CA GLU B 859 8.614 1.562 13.843 1.00 0.00 C ATOM 432 C GLU B 859 7.790 0.288 13.593 1.00 0.00 C ATOM 433 O GLU B 859 6.968 -0.104 14.427 1.00 0.00 O ATOM 434 CB GLU B 859 9.856 1.237 14.696 1.00 0.00 C ATOM 435 CG GLU B 859 10.541 2.463 15.310 1.00 0.00 C ATOM 436 CD GLU B 859 11.854 2.046 15.994 1.00 0.00 C ATOM 437 OE1 GLU B 859 11.881 1.909 17.243 1.00 0.00 O ATOM 438 OE2 GLU B 859 12.863 1.845 15.277 1.00 0.00 O ATOM 439 H GLU B 859 7.105 2.324 15.170 1.00 0.00 H ATOM 440 N THR B 860 8.028 -0.371 12.456 1.00 0.00 N ATOM 441 CA THR B 860 7.406 -1.658 12.088 1.00 0.00 C ATOM 442 C THR B 860 8.500 -2.706 11.805 1.00 0.00 C ATOM 443 O THR B 860 9.574 -2.661 12.405 1.00 0.00 O ATOM 444 CB THR B 860 6.393 -1.485 10.939 1.00 0.00 C ATOM 445 OG1 THR B 860 7.076 -1.387 9.702 1.00 0.00 O ATOM 446 CG2 THR B 860 5.459 -0.273 11.079 1.00 0.00 C ATOM 447 HG1 THR B 860 6.418 -1.276 8.971 1.00 0.00 H ATOM 448 H THR B 860 8.698 0.052 11.783 1.00 0.00 H ATOM 449 N ASP B 861 8.264 -3.656 10.899 1.00 0.00 N ATOM 450 CA ASP B 861 9.275 -4.577 10.374 1.00 0.00 C ATOM 451 C ASP B 861 10.260 -3.870 9.431 1.00 0.00 C ATOM 452 O ASP B 861 11.437 -4.231 9.366 1.00 0.00 O ATOM 453 CB ASP B 861 8.585 -5.745 9.673 1.00 0.00 C ATOM 454 CG ASP B 861 7.699 -6.628 10.579 1.00 0.00 C ATOM 455 OD1 ASP B 861 6.725 -7.224 10.058 1.00 0.00 O ATOM 456 OD2 ASP B 861 7.981 -6.776 11.794 1.00 0.00 O ATOM 457 H ASP B 861 7.293 -3.750 10.540 1.00 0.00 H ATOM 458 N ILE B 862 9.785 -2.825 8.740 1.00 0.00 N ATOM 459 CA ILE B 862 10.541 -2.009 7.792 1.00 0.00 C ATOM 460 C ILE B 862 10.698 -0.574 8.298 1.00 0.00 C ATOM 461 O ILE B 862 11.756 0.035 8.145 1.00 0.00 O ATOM 462 CB ILE B 862 9.893 -2.064 6.405 1.00 0.00 C ATOM 463 CG1 ILE B 862 10.007 -3.524 5.915 1.00 0.00 C ATOM 464 CG2 ILE B 862 10.613 -1.075 5.475 1.00 0.00 C ATOM 465 CD1 ILE B 862 9.461 -3.751 4.517 1.00 0.00 C ATOM 466 H ILE B 862 8.788 -2.572 8.892 1.00 0.00 H ATOM 467 N HIS B 863 9.636 -0.041 8.911 1.00 0.00 N ATOM 468 CA HIS B 863 9.597 1.312 9.438 1.00 0.00 C ATOM 469 C HIS B 863 10.448 1.391 10.699 1.00 0.00 C ATOM 470 O HIS B 863 10.366 0.511 11.537 1.00 0.00 O ATOM 471 CB HIS B 863 8.119 1.743 9.537 1.00 0.00 C ATOM 472 CG HIS B 863 7.672 2.867 10.460 1.00 0.00 C ATOM 473 ND1 HIS B 863 6.498 3.459 10.042 1.00 0.00 N ATOM 474 CD2 HIS B 863 8.541 3.916 10.501 1.00 0.00 C ATOM 475 CE1 HIS B 863 6.845 4.555 9.350 1.00 0.00 C ATOM 476 NE2 HIS B 863 8.137 4.807 9.529 1.00 0.00 N ATOM 477 H HIS B 863 8.786 -0.631 9.017 1.00 0.00 H ATOM 478 N LYS B 864 11.334 2.391 10.810 1.00 0.00 N ATOM 479 CA LYS B 864 12.239 2.584 11.958 1.00 0.00 C ATOM 480 C LYS B 864 12.435 4.055 12.332 1.00 0.00 C ATOM 481 O LYS B 864 12.290 4.936 11.490 1.00 0.00 O ATOM 482 CB LYS B 864 13.596 1.927 11.667 1.00 0.00 C ATOM 483 CG LYS B 864 13.506 0.431 11.272 1.00 0.00 C ATOM 484 CD LYS B 864 13.007 -0.532 12.363 1.00 0.00 C ATOM 485 CE LYS B 864 12.548 -1.848 11.718 1.00 0.00 C ATOM 486 NZ LYS B 864 12.411 -2.938 12.724 1.00 0.00 N ATOM 487 HZ1 LYS B 864 13.330 -3.102 13.183 1.00 0.00 H ATOM 488 HZ2 LYS B 864 11.709 -2.662 13.439 1.00 0.00 H ATOM 489 HZ3 LYS B 864 12.100 -3.809 12.249 1.00 0.00 H ATOM 490 H LYS B 864 11.387 3.079 10.032 1.00 0.00 H ATOM 491 N GLU B 865 12.854 4.331 13.566 1.00 0.00 N ATOM 492 CA GLU B 865 13.202 5.671 14.058 1.00 0.00 C ATOM 493 C GLU B 865 14.579 6.181 13.586 1.00 0.00 C ATOM 494 O GLU B 865 15.020 7.262 13.976 1.00 0.00 O ATOM 495 CB GLU B 865 13.096 5.704 15.593 1.00 0.00 C ATOM 496 CG GLU B 865 14.217 4.956 16.337 1.00 0.00 C ATOM 497 CD GLU B 865 14.054 4.934 17.877 1.00 0.00 C ATOM 498 OE1 GLU B 865 14.922 4.331 18.560 1.00 0.00 O ATOM 499 OE2 GLU B 865 13.106 5.541 18.438 1.00 0.00 O ATOM 500 H GLU B 865 12.941 3.537 14.232 1.00 0.00 H ATOM 501 N ASP B 866 15.260 5.408 12.733 1.00 0.00 N ATOM 502 CA ASP B 866 16.604 5.691 12.223 1.00 0.00 C ATOM 503 C ASP B 866 16.641 6.877 11.239 1.00 0.00 C ATOM 504 O ASP B 866 17.711 7.370 10.870 1.00 0.00 O ATOM 505 CB ASP B 866 17.135 4.429 11.539 1.00 0.00 C ATOM 506 CG ASP B 866 18.671 4.392 11.367 1.00 0.00 C ATOM 507 OD1 ASP B 866 19.146 3.769 10.385 1.00 0.00 O ATOM 508 OD2 ASP B 866 19.419 4.927 12.221 1.00 0.00 O ATOM 509 H ASP B 866 14.798 4.536 12.405 1.00 0.00 H ATOM 510 N HIS B 867 15.461 7.322 10.796 1.00 0.00 N ATOM 511 CA HIS B 867 15.274 8.265 9.704 1.00 0.00 C ATOM 512 C HIS B 867 14.750 9.660 10.107 1.00 0.00 C ATOM 513 O HIS B 867 14.895 10.117 11.242 1.00 0.00 O ATOM 514 CB HIS B 867 14.352 7.546 8.728 1.00 0.00 C ATOM 515 CG HIS B 867 12.942 7.284 9.191 1.00 0.00 C ATOM 516 ND1 HIS B 867 12.052 8.127 9.831 1.00 0.00 N ATOM 517 CD2 HIS B 867 12.228 6.237 8.707 1.00 0.00 C ATOM 518 CE1 HIS B 867 10.816 7.640 9.629 1.00 0.00 C ATOM 519 NE2 HIS B 867 10.873 6.516 8.904 1.00 0.00 N ATOM 520 H HIS B 867 14.607 6.965 11.271 1.00 0.00 H ATOM 521 N GLN B 868 14.062 10.296 9.154 1.00 0.00 N ATOM 522 CA GLN B 868 13.268 11.523 9.256 1.00 0.00 C ATOM 523 C GLN B 868 12.042 11.446 8.326 1.00 0.00 C ATOM 524 O GLN B 868 11.993 10.614 7.421 1.00 0.00 O ATOM 525 CB GLN B 868 14.155 12.757 8.975 1.00 0.00 C ATOM 526 CG GLN B 868 14.780 12.818 7.566 1.00 0.00 C ATOM 527 CD GLN B 868 15.946 11.857 7.369 1.00 0.00 C ATOM 528 OE1 GLN B 868 15.842 10.840 6.698 1.00 0.00 O ATOM 529 NE2 GLN B 868 17.085 12.106 7.972 1.00 0.00 N ATOM 530 HE22 GLN B 868 17.192 12.966 8.547 1.00 0.00 H ATOM 531 HE21 GLN B 868 17.881 11.443 7.875 1.00 0.00 H ATOM 532 H GLN B 868 14.095 9.860 8.210 1.00 0.00 H ATOM 533 N LEU B 869 11.038 12.287 8.564 1.00 0.00 N ATOM 534 CA LEU B 869 9.844 12.440 7.730 1.00 0.00 C ATOM 535 C LEU B 869 9.934 13.732 6.901 1.00 0.00 C ATOM 536 O LEU B 869 10.706 14.633 7.219 1.00 0.00 O ATOM 537 CB LEU B 869 8.590 12.465 8.627 1.00 0.00 C ATOM 538 CG LEU B 869 8.293 11.306 9.595 1.00 0.00 C ATOM 539 CD1 LEU B 869 8.174 9.982 8.854 1.00 0.00 C ATOM 540 CD2 LEU B 869 9.250 11.135 10.773 1.00 0.00 C ATOM 541 H LEU B 869 11.107 12.885 9.412 1.00 0.00 H ATOM 542 N GLU B 870 9.155 13.825 5.826 1.00 0.00 N ATOM 543 CA GLU B 870 9.018 15.046 5.014 1.00 0.00 C ATOM 544 C GLU B 870 7.598 15.638 5.107 1.00 0.00 C ATOM 545 O GLU B 870 6.651 14.954 4.703 1.00 0.00 O ATOM 546 CB GLU B 870 9.370 14.710 3.561 1.00 0.00 C ATOM 547 CG GLU B 870 9.404 15.892 2.592 1.00 0.00 C ATOM 548 CD GLU B 870 10.697 16.744 2.650 1.00 0.00 C ATOM 549 OE1 GLU B 870 11.202 17.141 1.569 1.00 0.00 O ATOM 550 OE2 GLU B 870 11.208 17.052 3.753 1.00 0.00 O ATOM 551 H GLU B 870 8.611 12.985 5.542 1.00 0.00 H ATOM 552 N PRO B 871 7.405 16.876 5.608 1.00 0.00 N ATOM 553 CA PRO B 871 6.097 17.526 5.640 1.00 0.00 C ATOM 554 C PRO B 871 5.697 18.015 4.241 1.00 0.00 C ATOM 555 O PRO B 871 6.515 18.610 3.532 1.00 0.00 O ATOM 556 CB PRO B 871 6.242 18.702 6.606 1.00 0.00 C ATOM 557 CG PRO B 871 7.717 19.088 6.486 1.00 0.00 C ATOM 558 CD PRO B 871 8.424 17.776 6.134 1.00 0.00 C ATOM 559 N ILE B 872 4.431 17.825 3.850 1.00 0.00 N ATOM 560 CA ILE B 872 3.930 18.170 2.517 1.00 0.00 C ATOM 561 C ILE B 872 2.731 19.097 2.677 1.00 0.00 C ATOM 562 O ILE B 872 1.667 18.701 3.148 1.00 0.00 O ATOM 563 CB ILE B 872 3.571 16.930 1.672 1.00 0.00 C ATOM 564 CG1 ILE B 872 4.513 15.713 1.843 1.00 0.00 C ATOM 565 CG2 ILE B 872 3.462 17.363 0.197 1.00 0.00 C ATOM 566 CD1 ILE B 872 5.920 15.926 1.284 1.00 0.00 C ATOM 567 H ILE B 872 3.765 17.409 4.531 1.00 0.00 H ATOM 568 N TYR B 873 2.929 20.346 2.274 1.00 0.00 N ATOM 569 CA TYR B 873 2.047 21.492 2.491 1.00 0.00 C ATOM 570 C TYR B 873 1.069 21.712 1.323 1.00 0.00 C ATOM 571 O TYR B 873 0.477 22.784 1.188 1.00 0.00 O ATOM 572 CB TYR B 873 2.931 22.711 2.778 1.00 0.00 C ATOM 573 CG TYR B 873 3.687 22.610 4.090 1.00 0.00 C ATOM 574 CD1 TYR B 873 5.073 22.354 4.099 1.00 0.00 C ATOM 575 CD2 TYR B 873 2.993 22.752 5.309 1.00 0.00 C ATOM 576 CE1 TYR B 873 5.764 22.249 5.322 1.00 0.00 C ATOM 577 CE2 TYR B 873 3.679 22.648 6.532 1.00 0.00 C ATOM 578 CZ TYR B 873 5.070 22.397 6.543 1.00 0.00 C ATOM 579 OH TYR B 873 5.748 22.297 7.722 1.00 0.00 O ATOM 580 HH TYR B 873 6.705 22.121 7.537 1.00 0.00 H ATOM 581 H TYR B 873 3.806 20.530 1.747 1.00 0.00 H ATOM 582 N ARG B 874 0.936 20.688 0.469 1.00 0.00 N ATOM 583 CA ARG B 874 0.207 20.716 -0.810 1.00 0.00 C ATOM 584 C ARG B 874 -0.163 19.337 -1.371 1.00 0.00 C ATOM 585 O ARG B 874 -1.185 19.248 -2.092 1.00 0.00 O ATOM 586 CB ARG B 874 1.060 21.475 -1.834 1.00 0.00 C ATOM 587 CG ARG B 874 2.453 20.863 -2.070 1.00 0.00 C ATOM 588 CD ARG B 874 3.336 21.825 -2.856 1.00 0.00 C ATOM 589 NE ARG B 874 2.877 22.008 -4.248 1.00 0.00 N ATOM 590 CZ ARG B 874 3.326 22.894 -5.118 1.00 0.00 C ATOM 591 NH1 ARG B 874 4.277 23.734 -4.826 1.00 0.00 N ATOM 592 NH2 ARG B 874 2.823 22.954 -6.315 1.00 0.00 N ATOM 593 OXT ARG B 874 0.563 18.361 -1.092 1.00 0.00 O ATOM 594 HE ARG B 874 2.122 21.373 -4.577 1.00 0.00 H ATOM 595 HH12 ARG B 874 4.604 24.417 -5.538 1.00 0.00 H ATOM 596 HH11 ARG B 874 4.710 23.721 -3.880 1.00 0.00 H ATOM 597 HH22 ARG B 874 3.181 23.654 -6.995 1.00 0.00 H ATOM 598 HH21 ARG B 874 2.062 22.302 -6.593 1.00 0.00 H ATOM 599 H ARG B 874 1.390 19.790 0.734 1.00 0.00 H TER 600 ARG B 874 HETATM 601 ZN ZN A 1 -2.613 9.643 12.054 1.00 0.00 ZN HETATM 602 ZN ZN A 2 9.261 5.636 8.069 1.00 0.00 ZN HETATM 603 N ALA A 3 0.508 5.376 4.374 1.00 0.24 N HETATM 604 CA ALA A 3 0.293 4.284 3.421 1.00 0.06 C HETATM 605 C ALA A 3 -0.351 4.799 2.144 1.00 0.23 C HETATM 606 O ALA A 3 -1.473 5.309 2.172 1.00 -0.39 O HETATM 607 N ALA A 3 0.348 4.601 1.022 1.00 -0.26 N HETATM 608 CA ALA A 3 -0.128 4.841 -0.355 1.00 0.13 C HETATM 609 C ALA A 3 -1.326 3.966 -0.775 1.00 0.20 C HETATM 610 O ALA A 3 -1.163 2.874 -1.315 1.00 -0.39 O HETATM 611 N ALA A 3 -2.539 4.433 -0.503 1.00 -0.26 N HETATM 612 CA ALA A 3 -3.796 3.859 -1.034 1.00 0.16 C HETATM 613 C ALA A 3 -4.090 4.396 -2.449 1.00 0.21 C HETATM 614 O ALA A 3 -4.927 3.846 -3.164 1.00 -0.39 O HETATM 615 N ALA A 3 -3.369 5.447 -2.867 1.00 -0.26 N HETATM 616 CA ALA A 3 -3.333 6.114 -4.177 1.00 0.13 C HETATM 617 CB ALA A 3 -2.040 6.961 -4.205 1.00 -0.01 C HETATM 618 CG ALA A 3 -1.914 7.927 -5.394 1.00 -0.05 C HETATM 619 CD ALA A 3 -2.922 9.086 -5.328 1.00 -0.03 C HETATM 620 CE ALA A 3 -2.620 10.198 -6.344 1.00 0.03 C HETATM 621 NZ ALA A 3 -2.771 9.723 -7.718 1.00 -0.29 N HETATM 622 CH ALA A 3 -1.768 9.407 -8.536 1.00 0.17 C HETATM 623 OH ALA A 3 -0.581 9.453 -8.220 1.00 -0.40 O HETATM 624 CH3 ALA A 3 -2.157 8.985 -9.930 1.00 0.03 C HETATM 625 H28 ALA A 3 -3.253 9.004 -10.027 1.00 0.05 H HETATM 626 H29 ALA A 3 -1.790 7.966 -10.120 1.00 0.05 H HETATM 627 H30 ALA A 3 -1.712 9.677 -10.660 1.00 0.05 H HETATM 628 H31 ALA A 3 -3.701 9.628 -8.072 1.00 0.18 H HETATM 629 H32 ALA A 3 -3.315 11.034 -6.176 1.00 0.05 H HETATM 630 H33 ALA A 3 -1.587 10.545 -6.197 1.00 0.05 H HETATM 631 H34 ALA A 3 -3.928 8.689 -5.531 1.00 0.03 H HETATM 632 H35 ALA A 3 -2.895 9.518 -4.317 1.00 0.03 H HETATM 633 H36 ALA A 3 -0.897 8.346 -5.401 1.00 0.03 H HETATM 634 H37 ALA A 3 -2.085 7.364 -6.324 1.00 0.03 H HETATM 635 H38 ALA A 3 -2.002 7.554 -3.280 1.00 0.03 H HETATM 636 H39 ALA A 3 -1.183 6.272 -4.234 1.00 0.03 H HETATM 637 C ALA A 3 -3.413 5.137 -5.372 1.00 0.20 C HETATM 638 O ALA A 3 -2.447 4.443 -5.695 1.00 -0.39 O HETATM 639 N ALA A 3 -4.580 5.076 -6.022 1.00 -0.26 N HETATM 640 CA ALA A 3 -4.813 4.255 -7.220 1.00 0.13 C HETATM 641 C ALA A 3 -4.179 4.878 -8.483 1.00 0.20 C HETATM 642 O ALA A 3 -3.982 6.092 -8.561 1.00 -0.39 O HETATM 643 N ALA A 3 -3.873 4.044 -9.484 1.00 -0.26 N HETATM 644 CA ALA A 3 -3.313 4.446 -10.790 1.00 0.16 C HETATM 645 C ALA A 3 -3.645 3.413 -11.886 1.00 0.21 C HETATM 646 O ALA A 3 -4.010 2.272 -11.581 1.00 -0.39 O HETATM 647 N ALA A 3 -3.551 3.805 -13.161 1.00 -0.26 N HETATM 648 CA ALA A 3 -3.848 2.947 -14.313 1.00 0.13 C HETATM 649 C ALA A 3 -2.845 1.780 -14.483 1.00 0.20 C HETATM 650 O ALA A 3 -1.669 1.890 -14.114 1.00 -0.39 O HETATM 651 N ALA A 3 -3.315 0.669 -15.073 1.00 -0.27 N HETATM 652 CA ALA A 3 -2.514 -0.528 -15.404 1.00 0.09 C HETATM 653 C ALA A 3 -1.484 -0.253 -16.518 1.00 0.06 C HETATM 654 O ALA A 3 -1.866 0.278 -17.588 1.00 -0.57 O HETATM 655 OXT ALA A 3 -0.292 -0.584 -16.323 1.00 -0.57 O HETATM 656 CB ALA A 3 -3.462 -1.690 -15.756 1.00 -0.01 C HETATM 657 CG ALA A 3 -2.722 -3.024 -15.943 1.00 -0.02 C HETATM 658 CD ALA A 3 -3.710 -4.167 -16.208 1.00 0.06 C HETATM 659 NE ALA A 3 -3.014 -5.457 -16.377 1.00 -0.27 N HETATM 660 CZ ALA A 3 -3.579 -6.632 -16.579 1.00 0.29 C HETATM 661 NH1 ALA A 3 -4.871 -6.781 -16.656 1.00 -0.28 N HETATM 662 H71 ALA A 3 -5.273 -7.716 -16.815 1.00 0.26 H HETATM 663 H72 ALA A 3 -5.490 -5.964 -16.558 1.00 0.26 H HETATM 664 NH2 ALA A 3 -2.844 -7.700 -16.709 1.00 -0.28 N HETATM 665 H73 ALA A 3 -1.818 -7.629 -16.655 1.00 0.26 H HETATM 666 H74 ALA A 3 -3.289 -8.616 -16.866 1.00 0.26 H HETATM 667 H70 ALA A 3 -1.985 -5.438 -16.333 1.00 0.26 H HETATM 668 H68 ALA A 3 -4.277 -3.944 -17.124 1.00 0.07 H HETATM 669 H69 ALA A 3 -4.404 -4.244 -15.358 1.00 0.07 H HETATM 670 H66 ALA A 3 -2.148 -3.248 -15.032 1.00 0.03 H HETATM 671 H67 ALA A 3 -2.034 -2.938 -16.797 1.00 0.03 H HETATM 672 H64 ALA A 3 -3.987 -1.445 -16.691 1.00 0.03 H HETATM 673 H65 ALA A 3 -4.194 -1.805 -14.944 1.00 0.03 H HETATM 674 H63 ALA A 3 -1.950 -0.815 -14.504 1.00 0.07 H HETATM 675 H62 ALA A 3 -4.287 0.650 -15.308 1.00 0.19 H HETATM 676 CB ALA A 3 -3.901 3.822 -15.571 1.00 -0.02 C HETATM 677 H59 ALA A 3 -4.123 3.193 -16.446 1.00 0.03 H HETATM 678 H60 ALA A 3 -2.930 4.319 -15.713 1.00 0.03 H HETATM 679 H61 ALA A 3 -4.688 4.582 -15.456 1.00 0.03 H HETATM 680 H58 ALA A 3 -4.843 2.505 -14.158 1.00 0.08 H HETATM 681 H57 ALA A 3 -3.259 4.744 -13.341 1.00 0.19 H HETATM 682 CB ALA A 3 -1.797 4.705 -10.673 1.00 0.09 C HETATM 683 OG1 ALA A 3 -1.296 5.308 -11.849 1.00 -0.39 O HETATM 684 H53 ALA A 3 -0.363 5.458 -11.754 1.00 0.21 H HETATM 685 CG2 ALA A 3 -0.973 3.436 -10.437 1.00 -0.03 C HETATM 686 H54 ALA A 3 0.093 3.699 -10.365 1.00 0.03 H HETATM 687 H55 ALA A 3 -1.123 2.740 -11.276 1.00 0.03 H HETATM 688 H56 ALA A 3 -1.297 2.957 -9.501 1.00 0.03 H HETATM 689 H52 ALA A 3 -1.638 5.387 -9.824 1.00 0.06 H HETATM 690 H51 ALA A 3 -3.789 5.395 -11.079 1.00 0.08 H HETATM 691 H50 ALA A 3 -4.037 3.069 -9.335 1.00 0.19 H HETATM 692 CB ALA A 3 -6.325 4.029 -7.416 1.00 0.00 C HETATM 693 CG ALA A 3 -7.012 3.308 -6.240 1.00 0.04 C HETATM 694 CD ALA A 3 -6.449 1.911 -5.991 1.00 0.17 C HETATM 695 OE1 ALA A 3 -6.641 0.984 -6.767 1.00 -0.40 O HETATM 696 NE2 ALA A 3 -5.733 1.697 -4.907 1.00 -0.30 N HETATM 697 H48 ALA A 3 -5.356 0.788 -4.728 1.00 0.18 H HETATM 698 H49 ALA A 3 -5.566 2.443 -4.263 1.00 0.18 H HETATM 699 H46 ALA A 3 -8.086 3.220 -6.461 1.00 0.05 H HETATM 700 H47 ALA A 3 -6.873 3.910 -5.330 1.00 0.05 H HETATM 701 H44 ALA A 3 -6.469 3.424 -8.323 1.00 0.03 H HETATM 702 H45 ALA A 3 -6.806 5.009 -7.549 1.00 0.03 H HETATM 703 H43 ALA A 3 -4.339 3.276 -7.056 1.00 0.08 H HETATM 704 H42 ALA A 3 -5.341 5.622 -5.672 1.00 0.19 H HETATM 705 H40 ALA A 3 -4.199 6.789 -4.247 1.00 0.08 H HETATM 706 H41 ALA A 3 -2.759 5.839 -2.178 1.00 0.19 H HETATM 707 CB ALA A 3 -4.965 4.163 -0.084 1.00 0.09 C HETATM 708 OG1 ALA A 3 -5.021 5.546 0.183 1.00 -0.39 O HETATM 709 H24 ALA A 3 -4.207 5.822 0.589 1.00 0.21 H HETATM 710 CG2 ALA A 3 -4.801 3.466 1.264 1.00 -0.03 C HETATM 711 H25 ALA A 3 -5.657 3.711 1.910 1.00 0.03 H HETATM 712 H26 ALA A 3 -3.871 3.807 1.743 1.00 0.03 H HETATM 713 H27 ALA A 3 -4.756 2.378 1.111 1.00 0.03 H HETATM 714 H23 ALA A 3 -5.902 3.834 -0.556 1.00 0.06 H HETATM 715 H22 ALA A 3 -3.677 2.767 -1.098 1.00 0.08 H HETATM 716 H21 ALA A 3 -2.608 5.226 0.102 1.00 0.19 H HETATM 717 CB ALA A 3 1.072 4.775 -1.340 1.00 -0.01 C HETATM 718 CG ALA A 3 1.669 3.397 -1.717 1.00 -0.02 C HETATM 719 CD ALA A 3 1.812 2.393 -0.554 1.00 0.06 C HETATM 720 NE ALA A 3 2.252 1.059 -0.999 1.00 -0.27 N HETATM 721 CZ ALA A 3 1.505 0.113 -1.543 1.00 0.29 C HETATM 722 NH1 ALA A 3 0.250 0.296 -1.859 1.00 -0.28 N HETATM 723 H17 ALA A 3 -0.292 -0.471 -2.281 1.00 0.26 H HETATM 724 H18 ALA A 3 -0.197 1.208 -1.686 1.00 0.26 H HETATM 725 NH2 ALA A 3 2.033 -1.054 -1.766 1.00 -0.28 N HETATM 726 H19 ALA A 3 3.020 -1.227 -1.527 1.00 0.26 H HETATM 727 H20 ALA A 3 1.464 -1.806 -2.182 1.00 0.26 H HETATM 728 H16 ALA A 3 3.250 0.839 -0.873 1.00 0.26 H HETATM 729 H14 ALA A 3 0.837 2.293 -0.055 1.00 0.07 H HETATM 730 H15 ALA A 3 2.551 2.786 0.160 1.00 0.07 H HETATM 731 H12 ALA A 3 2.669 3.566 -2.143 1.00 0.03 H HETATM 732 H13 ALA A 3 1.018 2.943 -2.478 1.00 0.03 H HETATM 733 H10 ALA A 3 1.886 5.366 -0.894 1.00 0.03 H HETATM 734 H11 ALA A 3 0.745 5.250 -2.277 1.00 0.03 H HETATM 735 H9 ALA A 3 -0.496 5.877 -0.380 1.00 0.08 H HETATM 736 H8 ALA A 3 1.282 4.258 1.125 1.00 0.19 H HETATM 737 CB ALA A 3 -0.531 3.143 4.019 1.00 -0.00 C HETATM 738 H5 ALA A 3 -0.663 2.352 3.266 1.00 0.03 H HETATM 739 H6 ALA A 3 -1.516 3.524 4.327 1.00 0.03 H HETATM 740 H7 ALA A 3 -0.007 2.732 4.894 1.00 0.03 H HETATM 741 H4 ALA A 3 1.280 3.876 3.159 1.00 0.11 H HETATM 742 H1 ALA A 3 0.935 5.012 5.211 1.00 0.20 H HETATM 743 H2 ALA A 3 -0.377 5.800 4.605 1.00 0.20 H HETATM 744 H3 ALA A 3 1.114 6.068 3.961 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 111 110 601 CONECT 138 137 601 CONECT 254 253 602 CONECT 282 281 602 CONECT 360 359 601 CONECT 384 383 601 CONECT 476 474 475 602 CONECT 519 517 518 602 CONECT 601 111 138 360 384 CONECT 602 254 282 476 519 CONECT 603 604 742 743 744 CONECT 604 603 605 737 741 CONECT 605 604 606 607 CONECT 606 605 CONECT 607 605 608 736 CONECT 608 607 609 717 735 CONECT 609 608 610 611 CONECT 610 609 CONECT 611 609 612 716 CONECT 612 611 613 707 715 CONECT 613 612 614 615 CONECT 614 613 CONECT 615 613 616 706 CONECT 616 615 617 637 705 CONECT 617 616 618 635 636 CONECT 618 617 619 633 634 CONECT 619 618 620 631 632 CONECT 620 619 621 629 630 CONECT 621 620 622 628 CONECT 622 621 623 624 CONECT 623 622 CONECT 624 622 625 626 627 CONECT 625 624 CONECT 626 624 CONECT 627 624 CONECT 628 621 CONECT 629 620 CONECT 630 620 CONECT 631 619 CONECT 632 619 CONECT 633 618 CONECT 634 618 CONECT 635 617 CONECT 636 617 CONECT 637 616 638 639 CONECT 638 637 CONECT 639 637 640 704 CONECT 640 639 641 692 703 CONECT 641 640 642 643 CONECT 642 641 CONECT 643 641 644 691 CONECT 644 643 645 682 690 CONECT 645 644 646 647 CONECT 646 645 CONECT 647 645 648 681 CONECT 648 647 649 676 680 CONECT 649 648 650 651 CONECT 650 649 CONECT 651 649 652 675 CONECT 652 651 653 656 674 CONECT 653 652 654 655 CONECT 654 653 CONECT 655 653 CONECT 656 652 657 672 673 CONECT 657 656 658 670 671 CONECT 658 657 659 668 669 CONECT 659 658 660 667 CONECT 660 659 661 664 CONECT 661 660 662 663 CONECT 662 661 CONECT 663 661 CONECT 664 660 665 666 CONECT 665 664 CONECT 666 664 CONECT 667 659 CONECT 668 658 CONECT 669 658 CONECT 670 657 CONECT 671 657 CONECT 672 656 CONECT 673 656 CONECT 674 652 CONECT 675 651 CONECT 676 648 677 678 679 CONECT 677 676 CONECT 678 676 CONECT 679 676 CONECT 680 648 CONECT 681 647 CONECT 682 644 683 685 689 CONECT 683 682 684 CONECT 684 683 CONECT 685 682 686 687 688 CONECT 686 685 CONECT 687 685 CONECT 688 685 CONECT 689 682 CONECT 690 644 CONECT 691 643 CONECT 692 640 693 701 702 CONECT 693 692 694 699 700 CONECT 694 693 695 696 CONECT 695 694 CONECT 696 694 697 698 CONECT 697 696 CONECT 698 696 CONECT 699 693 CONECT 700 693 CONECT 701 692 CONECT 702 692 CONECT 703 640 CONECT 704 639 CONECT 705 616 CONECT 706 615 CONECT 707 612 708 710 714 CONECT 708 707 709 CONECT 709 708 CONECT 710 707 711 712 713 CONECT 711 710 CONECT 712 710 CONECT 713 710 CONECT 714 707 CONECT 715 612 CONECT 716 611 CONECT 717 608 718 733 734 CONECT 718 717 719 731 732 CONECT 719 718 720 729 730 CONECT 720 719 721 728 CONECT 721 720 722 725 CONECT 722 721 723 724 CONECT 723 722 CONECT 724 722 CONECT 725 721 726 727 CONECT 726 725 CONECT 727 725 CONECT 728 720 CONECT 729 719 CONECT 730 719 CONECT 731 718 CONECT 732 718 CONECT 733 717 CONECT 734 717 CONECT 735 608 CONECT 736 607 CONECT 737 604 738 739 740 CONECT 738 737 CONECT 739 737 CONECT 740 737 CONECT 741 604 CONECT 742 603 CONECT 743 603 CONECT 744 603 MASTER 0 0 0 0 0 0 0 0 743 1 156 5 END
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Related entries of code: 6e86
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6e83
RCSB PDB
PDBbind
64aa, >6E83_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
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8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
6e86
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ZZ-type zinc finger-containing protein 3
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=8.2uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 3759-3759
Ligand Properties
Formula
C
3
9
H
7
5
N
1
6
O
1
3
Molecular Weight
976.112
Exact Mass
975.570
No. of atoms
143
No. of bonds
142
Polar Surface Area
513.31
LOGP Value
-4.45 (
Computed with XLOGP3
)
-5.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 42
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 0
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCCNC(=O)C
InChI String
InChI=1S/C39H72N16O13/c1-18(40)30(60)50-24(11-8-16-47-38(42)43)33(63)55-29(21(4)57)36(66)52-23(10-6-7-15-46-22(5)58)32(62)51-25(13-14-27(41)59)34(64)54-28(20(3)56)35(65)49-19(2)31(61)53-26(37(67)68)12-9-17-48-39(44)45/h18-21,23-26,28-29,56-57H,6-17,40H2,1-5H3,(H2,41,59)(H,46,58)(H,49,65)(H,50,60)(H,51,62)(H,52,66)(H,53,61)(H,54,64)(H,55,63)(H,67,68)(H4,42,43,47)(H4,44,45,48)/p+3/t18-,19-,20+,21+,23-,24-,25-,26-,28-,29-/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):
Q8IYH5
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
26009
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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