Browse entries in the PDBbind-CN Database
HEADER 6ASZ_COMPLEX COMPND 6ASZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 53 GLU GLU PHE ALA VAL GLU LYS ILE ILE ASP ARG ARG VAL SEQRES 2 A 53 ARG LYS GLY MET VAL GLU TYR TYR LEU LYS TRP LYS GLY SEQRES 3 A 53 TYR PRO GLU THR GLU ASN THR TRP GLU PRO GLU ASN ASN SEQRES 4 A 53 LEU ASP CYS GLN ASP LEU ILE GLN GLN TYR GLU ALA SER SEQRES 5 A 53 ARG HET GLN A 73 110 ATOM 1 N GLU A 22 -21.735 -17.959 9.625 1.00 44.63 N ATOM 2 CA GLU A 22 -22.459 -16.695 9.567 1.00 32.49 C ATOM 3 C GLU A 22 -21.642 -15.603 8.880 1.00 28.30 C ATOM 4 O GLU A 22 -20.411 -15.649 8.869 1.00 29.63 O ATOM 5 CB GLU A 22 -22.845 -16.241 10.968 1.00 43.02 C ATOM 6 CG GLU A 22 -24.161 -16.789 11.453 1.00 46.36 C ATOM 7 CD GLU A 22 -25.147 -15.681 11.749 1.00 62.74 C ATOM 8 OE1 GLU A 22 -24.919 -14.547 11.270 1.00 62.01 O ATOM 9 OE2 GLU A 22 -26.145 -15.941 12.455 1.00 72.12 O ATOM 10 HN3 GLU A 22 -20.852 -17.827 10.158 1.00 0.00 H ATOM 11 HN2 GLU A 22 -21.514 -18.275 8.659 1.00 0.00 H ATOM 12 HN1 GLU A 22 -22.324 -18.673 10.099 1.00 0.00 H ATOM 13 N GLU A 23 -22.337 -14.626 8.311 1.00 28.23 N ATOM 14 CA GLU A 23 -21.702 -13.503 7.636 1.00 30.12 C ATOM 15 C GLU A 23 -21.743 -12.254 8.510 1.00 31.54 C ATOM 16 O GLU A 23 -22.708 -12.017 9.241 1.00 26.89 O ATOM 17 CB GLU A 23 -22.382 -13.213 6.299 1.00 28.81 C ATOM 18 CG GLU A 23 -22.253 -14.346 5.289 1.00 31.61 C ATOM 19 CD GLU A 23 -22.787 -13.962 3.921 1.00 48.47 C ATOM 20 OE1 GLU A 23 -23.565 -12.988 3.833 1.00 47.73 O ATOM 21 OE2 GLU A 23 -22.427 -14.634 2.936 1.00 54.56 O ATOM 22 H GLU A 23 -23.376 -14.664 8.349 1.00 0.00 H ATOM 23 N PHE A 24 -20.690 -11.443 8.413 1.00 27.15 N ATOM 24 CA PHE A 24 -20.549 -10.255 9.247 1.00 20.05 C ATOM 25 C PHE A 24 -19.978 -9.111 8.425 1.00 20.22 C ATOM 26 O PHE A 24 -19.248 -9.334 7.459 1.00 21.22 O ATOM 27 CB PHE A 24 -19.626 -10.515 10.436 1.00 23.05 C ATOM 28 CG PHE A 24 -20.108 -11.594 11.345 1.00 23.35 C ATOM 29 CD1 PHE A 24 -20.928 -11.290 12.422 1.00 24.55 C ATOM 30 CD2 PHE A 24 -19.738 -12.912 11.134 1.00 24.87 C ATOM 31 CE1 PHE A 24 -21.371 -12.279 13.276 1.00 28.66 C ATOM 32 CE2 PHE A 24 -20.188 -13.912 11.982 1.00 30.24 C ATOM 33 CZ PHE A 24 -21.008 -13.589 13.053 1.00 30.93 C ATOM 34 H PHE A 24 -19.946 -11.664 7.721 1.00 0.00 H ATOM 35 N ALA A 25 -20.290 -7.879 8.843 1.00 21.48 N ATOM 36 CA ALA A 25 -19.776 -6.698 8.155 1.00 17.17 C ATOM 37 C ALA A 25 -18.269 -6.568 8.339 1.00 16.38 C ATOM 38 O ALA A 25 -17.750 -6.704 9.447 1.00 20.22 O ATOM 39 CB ALA A 25 -20.475 -5.438 8.672 1.00 25.24 C ATOM 40 H ALA A 25 -20.908 -7.761 9.671 1.00 0.00 H ATOM 41 N VAL A 26 -17.565 -6.272 7.246 1.00 17.63 N ATOM 42 CA VAL A 26 -16.112 -6.107 7.260 1.00 18.94 C ATOM 43 C VAL A 26 -15.783 -4.622 7.281 1.00 17.31 C ATOM 44 O VAL A 26 -16.316 -3.846 6.475 1.00 20.82 O ATOM 45 CB VAL A 26 -15.451 -6.783 6.048 1.00 17.92 C ATOM 46 CG1 VAL A 26 -13.943 -6.541 6.064 1.00 14.45 C ATOM 47 CG2 VAL A 26 -15.721 -8.282 6.047 1.00 18.61 C ATOM 48 H VAL A 26 -18.071 -6.153 6.345 1.00 0.00 H ATOM 49 N GLU A 27 -14.896 -4.227 8.195 1.00 18.63 N ATOM 50 CA GLU A 27 -14.466 -2.834 8.251 1.00 20.04 C ATOM 51 C GLU A 27 -13.349 -2.571 7.247 1.00 17.26 C ATOM 52 O GLU A 27 -13.446 -1.654 6.424 1.00 21.63 O ATOM 53 CB GLU A 27 -14.019 -2.478 9.670 1.00 19.09 C ATOM 54 CG GLU A 27 -13.624 -1.017 9.806 1.00 26.08 C ATOM 55 CD GLU A 27 -13.264 -0.645 11.237 1.00 30.94 C ATOM 56 OE1 GLU A 27 -13.820 -1.262 12.170 1.00 25.34 O ATOM 57 OE2 GLU A 27 -12.419 0.258 11.433 1.00 31.82 O ATOM 58 H GLU A 27 -14.509 -4.916 8.871 1.00 0.00 H ATOM 59 N LYS A 28 -12.298 -3.385 7.267 1.00 19.67 N ATOM 60 CA LYS A 28 -11.207 -3.172 6.328 1.00 19.83 C ATOM 61 C LYS A 28 -10.338 -4.414 6.240 1.00 21.99 C ATOM 62 O LYS A 28 -10.304 -5.246 7.149 1.00 20.22 O ATOM 63 CB LYS A 28 -10.346 -1.977 6.732 1.00 20.53 C ATOM 64 CG LYS A 28 -9.629 -2.186 8.050 1.00 32.69 C ATOM 65 CD LYS A 28 -8.957 -0.915 8.535 1.00 34.24 C ATOM 66 CE LYS A 28 -8.370 -1.136 9.917 1.00 27.85 C ATOM 67 NZ LYS A 28 -7.862 0.135 10.501 1.00 35.18 N ATOM 68 HZ1 LYS A 28 -7.120 0.526 9.886 1.00 0.00 H ATOM 69 HZ2 LYS A 28 -8.644 0.816 10.579 1.00 0.00 H ATOM 70 HZ3 LYS A 28 -7.468 -0.052 11.445 1.00 0.00 H ATOM 71 H LYS A 28 -12.256 -4.169 7.949 1.00 0.00 H ATOM 72 N ILE A 29 -9.603 -4.490 5.137 1.00 17.40 N ATOM 73 CA ILE A 29 -8.604 -5.528 4.923 1.00 19.15 C ATOM 74 C ILE A 29 -7.270 -5.020 5.458 1.00 22.90 C ATOM 75 O ILE A 29 -6.786 -3.963 5.043 1.00 19.38 O ATOM 76 CB ILE A 29 -8.507 -5.886 3.436 1.00 20.91 C ATOM 77 CG1 ILE A 29 -9.820 -6.537 2.985 1.00 20.17 C ATOM 78 CG2 ILE A 29 -7.306 -6.780 3.186 1.00 19.16 C ATOM 79 CD1 ILE A 29 -9.884 -6.821 1.513 1.00 20.53 C ATOM 80 H ILE A 29 -9.747 -3.777 4.393 1.00 0.00 H ATOM 81 N ILE A 30 -6.678 -5.766 6.385 1.00 17.71 N ATOM 82 CA ILE A 30 -5.440 -5.352 7.026 1.00 17.30 C ATOM 83 C ILE A 30 -4.220 -5.938 6.332 1.00 26.09 C ATOM 84 O ILE A 30 -3.191 -5.270 6.215 1.00 25.99 O ATOM 85 CB ILE A 30 -5.473 -5.726 8.518 1.00 23.06 C ATOM 86 CG1 ILE A 30 -6.510 -4.852 9.214 1.00 21.24 C ATOM 87 CG2 ILE A 30 -4.107 -5.536 9.140 1.00 20.60 C ATOM 88 CD1 ILE A 30 -6.744 -5.247 10.619 1.00 27.51 C ATOM 89 H ILE A 30 -7.112 -6.670 6.659 1.00 0.00 H ATOM 90 N ASP A 31 -4.321 -7.163 5.833 1.00 19.94 N ATOM 91 CA ASP A 31 -3.156 -7.815 5.263 1.00 23.84 C ATOM 92 C ASP A 31 -3.629 -8.935 4.349 1.00 17.47 C ATOM 93 O ASP A 31 -4.804 -9.302 4.338 1.00 19.16 O ATOM 94 CB ASP A 31 -2.232 -8.334 6.370 1.00 24.39 C ATOM 95 CG ASP A 31 -0.775 -8.358 5.953 1.00 26.86 C ATOM 96 OD1 ASP A 31 -0.486 -8.352 4.734 1.00 34.37 O ATOM 97 OD2 ASP A 31 0.080 -8.401 6.856 1.00 42.69 O ATOM 98 H ASP A 31 -5.236 -7.657 5.850 1.00 0.00 H ATOM 99 N ARG A 32 -2.686 -9.471 3.579 1.00 26.72 N ATOM 100 CA ARG A 32 -2.954 -10.534 2.622 1.00 21.99 C ATOM 101 C ARG A 32 -1.811 -11.531 2.700 1.00 25.46 C ATOM 102 O ARG A 32 -0.667 -11.154 2.967 1.00 24.10 O ATOM 103 CB ARG A 32 -3.096 -9.973 1.196 1.00 28.84 C ATOM 104 CG ARG A 32 -3.273 -10.997 0.098 1.00 24.65 C ATOM 105 CD ARG A 32 -2.869 -10.384 -1.259 1.00 29.96 C ATOM 106 NE ARG A 32 -3.269 -11.208 -2.398 1.00 40.20 N ATOM 107 CZ ARG A 32 -2.508 -12.156 -2.940 1.00 49.12 C ATOM 108 NH1 ARG A 32 -1.304 -12.408 -2.445 1.00 43.61 N ATOM 109 NH2 ARG A 32 -2.951 -12.859 -3.975 1.00 49.19 N ATOM 110 HE ARG A 32 -4.209 -11.043 -2.812 1.00 0.00 H ATOM 111 HH12 ARG A 32 -0.712 -13.149 -2.871 1.00 0.00 H ATOM 112 HH11 ARG A 32 -0.952 -11.864 -1.631 1.00 0.00 H ATOM 113 HH22 ARG A 32 -2.353 -13.599 -4.395 1.00 0.00 H ATOM 114 HH21 ARG A 32 -3.896 -12.670 -4.366 1.00 0.00 H ATOM 115 H ARG A 32 -1.713 -9.114 3.665 1.00 0.00 H ATOM 116 N ARG A 33 -2.125 -12.805 2.503 1.00 21.01 N ATOM 117 CA ARG A 33 -1.090 -13.827 2.499 1.00 23.04 C ATOM 118 C ARG A 33 -1.576 -14.993 1.666 1.00 20.60 C ATOM 119 O ARG A 33 -2.762 -15.098 1.344 1.00 25.14 O ATOM 120 CB ARG A 33 -0.746 -14.295 3.912 1.00 19.00 C ATOM 121 CG ARG A 33 -1.791 -15.197 4.530 1.00 22.79 C ATOM 122 CD ARG A 33 -1.421 -15.586 5.961 1.00 25.13 C ATOM 123 NE ARG A 33 -2.434 -16.455 6.558 1.00 26.43 N ATOM 124 CZ ARG A 33 -2.436 -16.837 7.834 1.00 26.88 C ATOM 125 NH1 ARG A 33 -1.475 -16.425 8.656 1.00 33.42 N ATOM 126 NH2 ARG A 33 -3.403 -17.620 8.289 1.00 25.66 N ATOM 127 HE ARG A 33 -3.203 -16.797 5.947 1.00 0.00 H ATOM 128 HH12 ARG A 33 -1.479 -16.725 9.652 1.00 0.00 H ATOM 129 HH11 ARG A 33 -0.720 -15.803 8.303 1.00 0.00 H ATOM 130 HH22 ARG A 33 -3.405 -17.919 9.285 1.00 0.00 H ATOM 131 HH21 ARG A 33 -4.160 -17.936 7.650 1.00 0.00 H ATOM 132 H ARG A 33 -3.118 -13.075 2.350 1.00 0.00 H ATOM 133 N VAL A 34 -0.640 -15.861 1.298 1.00 23.68 N ATOM 134 CA VAL A 34 -0.955 -17.142 0.683 1.00 21.60 C ATOM 135 C VAL A 34 -0.567 -18.226 1.673 1.00 22.33 C ATOM 136 O VAL A 34 0.544 -18.207 2.219 1.00 22.77 O ATOM 137 CB VAL A 34 -0.235 -17.329 -0.660 1.00 30.13 C ATOM 138 CG1 VAL A 34 -0.511 -18.719 -1.204 1.00 21.74 C ATOM 139 CG2 VAL A 34 -0.712 -16.274 -1.642 1.00 26.73 C ATOM 140 H VAL A 34 0.358 -15.615 1.456 1.00 0.00 H ATOM 141 N ARG A 35 -1.496 -19.135 1.939 1.00 22.64 N ATOM 142 CA ARG A 35 -1.283 -20.224 2.876 1.00 25.26 C ATOM 143 C ARG A 35 -1.893 -21.480 2.273 1.00 20.76 C ATOM 144 O ARG A 35 -3.063 -21.475 1.883 1.00 22.95 O ATOM 145 CB ARG A 35 -1.911 -19.911 4.237 1.00 23.80 C ATOM 146 CG ARG A 35 -1.375 -20.754 5.372 1.00 32.91 C ATOM 147 CD ARG A 35 -2.126 -20.486 6.659 1.00 30.27 C ATOM 148 NE ARG A 35 -3.558 -20.729 6.499 1.00 40.70 N ATOM 149 CZ ARG A 35 -4.152 -21.898 6.718 1.00 47.15 C ATOM 150 NH1 ARG A 35 -3.439 -22.946 7.117 1.00 44.78 N ATOM 151 NH2 ARG A 35 -5.462 -22.017 6.542 1.00 48.07 N ATOM 152 HE ARG A 35 -4.153 -19.933 6.193 1.00 0.00 H ATOM 153 HH12 ARG A 35 -3.907 -23.859 7.287 1.00 0.00 H ATOM 154 HH11 ARG A 35 -2.413 -22.853 7.259 1.00 0.00 H ATOM 155 HH22 ARG A 35 -5.929 -22.931 6.713 1.00 0.00 H ATOM 156 HH21 ARG A 35 -6.022 -21.197 6.233 1.00 0.00 H ATOM 157 H ARG A 35 -2.415 -19.065 1.457 1.00 0.00 H ATOM 158 N LYS A 36 -1.096 -22.540 2.175 1.00 23.57 N ATOM 159 CA LYS A 36 -1.541 -23.784 1.552 1.00 25.21 C ATOM 160 C LYS A 36 -2.127 -23.511 0.172 1.00 22.18 C ATOM 161 O LYS A 36 -3.150 -24.074 -0.225 1.00 25.22 O ATOM 162 CB LYS A 36 -2.532 -24.513 2.450 1.00 28.58 C ATOM 163 CG LYS A 36 -1.944 -24.845 3.806 1.00 29.76 C ATOM 164 CD LYS A 36 -2.903 -25.688 4.626 1.00 38.61 C ATOM 165 CE LYS A 36 -2.219 -26.250 5.854 1.00 43.39 C ATOM 166 NZ LYS A 36 -3.111 -27.189 6.600 1.00 40.71 N ATOM 167 HZ1 LYS A 36 -3.968 -26.684 6.903 1.00 0.00 H ATOM 168 HZ2 LYS A 36 -3.375 -27.981 5.980 1.00 0.00 H ATOM 169 HZ3 LYS A 36 -2.608 -27.554 7.434 1.00 0.00 H ATOM 170 H LYS A 36 -0.129 -22.482 2.553 1.00 0.00 H ATOM 171 N GLY A 37 -1.458 -22.635 -0.567 1.00 20.16 N ATOM 172 CA GLY A 37 -1.846 -22.310 -1.920 1.00 21.26 C ATOM 173 C GLY A 37 -3.059 -21.425 -2.054 1.00 30.20 C ATOM 174 O GLY A 37 -3.447 -21.113 -3.183 1.00 28.35 O ATOM 175 H GLY A 37 -0.625 -22.166 -0.158 1.00 0.00 H ATOM 176 N MET A 38 -3.666 -20.989 -0.956 1.00 25.76 N ATOM 177 CA MET A 38 -4.863 -20.168 -1.034 1.00 22.31 C ATOM 178 C MET A 38 -4.588 -18.765 -0.517 1.00 26.24 C ATOM 179 O MET A 38 -3.838 -18.582 0.447 1.00 26.82 O ATOM 180 CB MET A 38 -6.012 -20.802 -0.255 1.00 27.61 C ATOM 181 CG MET A 38 -6.863 -21.722 -1.120 1.00 44.04 C ATOM 182 SD MET A 38 -8.193 -22.522 -0.215 1.00 85.87 S ATOM 183 CE MET A 38 -7.259 -23.398 1.041 1.00 45.89 C ATOM 184 H MET A 38 -3.278 -21.239 -0.024 1.00 0.00 H ATOM 185 N VAL A 39 -5.186 -17.780 -1.179 1.00 26.63 N ATOM 186 CA VAL A 39 -5.087 -16.391 -0.749 1.00 20.38 C ATOM 187 C VAL A 39 -5.987 -16.180 0.455 1.00 20.61 C ATOM 188 O VAL A 39 -7.143 -16.623 0.478 1.00 19.10 O ATOM 189 CB VAL A 39 -5.473 -15.441 -1.896 1.00 25.90 C ATOM 190 CG1 VAL A 39 -5.315 -14.000 -1.465 1.00 24.91 C ATOM 191 CG2 VAL A 39 -4.640 -15.741 -3.135 1.00 28.96 C ATOM 192 H VAL A 39 -5.741 -18.007 -2.029 1.00 0.00 H ATOM 193 N GLU A 40 -5.453 -15.506 1.465 1.00 21.44 N ATOM 194 CA GLU A 40 -6.191 -15.188 2.671 1.00 18.59 C ATOM 195 C GLU A 40 -6.001 -13.718 3.000 1.00 18.49 C ATOM 196 O GLU A 40 -4.943 -13.142 2.743 1.00 17.48 O ATOM 197 CB GLU A 40 -5.734 -16.031 3.859 1.00 20.89 C ATOM 198 CG GLU A 40 -6.079 -17.504 3.766 1.00 20.13 C ATOM 199 CD GLU A 40 -5.635 -18.244 5.008 1.00 22.66 C ATOM 200 OE1 GLU A 40 -4.760 -17.714 5.724 1.00 30.14 O ATOM 201 OE2 GLU A 40 -6.170 -19.339 5.276 1.00 32.62 O ATOM 202 H GLU A 40 -4.464 -15.193 1.388 1.00 0.00 H ATOM 203 N TYR A 41 -7.043 -13.121 3.563 1.00 16.75 N ATOM 204 CA TYR A 41 -7.054 -11.713 3.942 1.00 17.34 C ATOM 205 C TYR A 41 -7.240 -11.610 5.444 1.00 18.25 C ATOM 206 O TYR A 41 -8.096 -12.293 6.012 1.00 17.34 O ATOM 207 CB TYR A 41 -8.187 -10.953 3.262 1.00 18.92 C ATOM 208 CG TYR A 41 -7.979 -10.813 1.787 1.00 20.95 C ATOM 209 CD1 TYR A 41 -7.046 -9.917 1.291 1.00 21.43 C ATOM 210 CD2 TYR A 41 -8.689 -11.598 0.890 1.00 20.22 C ATOM 211 CE1 TYR A 41 -6.839 -9.781 -0.060 1.00 22.84 C ATOM 212 CE2 TYR A 41 -8.491 -11.475 -0.473 1.00 25.67 C ATOM 213 CZ TYR A 41 -7.560 -10.556 -0.938 1.00 22.42 C ATOM 214 OH TYR A 41 -7.347 -10.429 -2.284 1.00 27.42 O ATOM 215 HH TYR A 41 -6.658 -9.736 -2.444 1.00 0.00 H ATOM 216 H TYR A 41 -7.897 -13.687 3.744 1.00 0.00 H ATOM 217 N TYR A 42 -6.463 -10.731 6.070 1.00 17.66 N ATOM 218 CA TYR A 42 -6.595 -10.434 7.489 1.00 16.54 C ATOM 219 C TYR A 42 -7.609 -9.312 7.643 1.00 18.27 C ATOM 220 O TYR A 42 -7.399 -8.210 7.119 1.00 18.80 O ATOM 221 CB TYR A 42 -5.250 -10.033 8.082 1.00 17.57 C ATOM 222 CG TYR A 42 -5.210 -10.056 9.581 1.00 21.49 C ATOM 223 CD1 TYR A 42 -5.513 -11.214 10.282 1.00 20.11 C ATOM 224 CD2 TYR A 42 -4.820 -8.941 10.296 1.00 21.38 C ATOM 225 CE1 TYR A 42 -5.468 -11.249 11.671 1.00 22.86 C ATOM 226 CE2 TYR A 42 -4.759 -8.969 11.686 1.00 31.58 C ATOM 227 CZ TYR A 42 -5.079 -10.127 12.364 1.00 28.60 C ATOM 228 OH TYR A 42 -5.020 -10.156 13.745 1.00 26.40 O ATOM 229 HH TYR A 42 -5.279 -11.056 14.066 1.00 0.00 H ATOM 230 H TYR A 42 -5.731 -10.235 5.523 1.00 0.00 H ATOM 231 N LEU A 43 -8.708 -9.594 8.334 1.00 16.50 N ATOM 232 CA LEU A 43 -9.856 -8.705 8.355 1.00 15.76 C ATOM 233 C LEU A 43 -10.074 -8.075 9.724 1.00 15.31 C ATOM 234 O LEU A 43 -9.959 -8.744 10.755 1.00 17.21 O ATOM 235 CB LEU A 43 -11.132 -9.449 7.971 1.00 17.81 C ATOM 236 CG LEU A 43 -11.193 -10.126 6.612 1.00 17.50 C ATOM 237 CD1 LEU A 43 -12.604 -10.661 6.417 1.00 19.88 C ATOM 238 CD2 LEU A 43 -10.843 -9.130 5.540 1.00 20.37 C ATOM 239 H LEU A 43 -8.747 -10.480 8.877 1.00 0.00 H ATOM 240 N LYS A 44 -10.436 -6.795 9.714 1.00 17.08 N ATOM 241 CA LYS A 44 -11.017 -6.121 10.868 1.00 16.62 C ATOM 242 C LYS A 44 -12.532 -6.146 10.699 1.00 19.47 C ATOM 243 O LYS A 44 -13.047 -5.657 9.690 1.00 18.15 O ATOM 244 CB LYS A 44 -10.512 -4.678 10.976 1.00 17.23 C ATOM 245 CG LYS A 44 -11.270 -3.785 11.979 1.00 20.14 C ATOM 246 CD LYS A 44 -11.030 -4.221 13.437 1.00 21.41 C ATOM 247 CE LYS A 44 -11.620 -3.211 14.432 1.00 17.94 C ATOM 248 NZ LYS A 44 -13.088 -3.045 14.219 1.00 22.00 N ATOM 249 HZ1 LYS A 44 -13.260 -2.701 13.253 1.00 0.00 H ATOM 250 HZ2 LYS A 44 -13.562 -3.961 14.352 1.00 0.00 H ATOM 251 HZ3 LYS A 44 -13.461 -2.357 14.904 1.00 0.00 H ATOM 252 H LYS A 44 -10.298 -6.249 8.840 1.00 0.00 H ATOM 253 N TRP A 45 -13.241 -6.707 11.675 1.00 17.97 N ATOM 254 CA TRP A 45 -14.690 -6.838 11.599 1.00 15.80 C ATOM 255 C TRP A 45 -15.362 -5.597 12.172 1.00 18.15 C ATOM 256 O TRP A 45 -14.996 -5.127 13.255 1.00 18.49 O ATOM 257 CB TRP A 45 -15.161 -8.088 12.353 1.00 19.28 C ATOM 258 CG TRP A 45 -14.555 -9.349 11.835 1.00 19.56 C ATOM 259 CD1 TRP A 45 -13.470 -10.017 12.342 1.00 18.16 C ATOM 260 CD2 TRP A 45 -15.000 -10.097 10.704 1.00 19.01 C ATOM 261 NE1 TRP A 45 -13.212 -11.147 11.575 1.00 17.44 N ATOM 262 CE2 TRP A 45 -14.134 -11.205 10.561 1.00 18.76 C ATOM 263 CE3 TRP A 45 -16.043 -9.933 9.782 1.00 19.72 C ATOM 264 CZ2 TRP A 45 -14.294 -12.147 9.541 1.00 20.18 C ATOM 265 CZ3 TRP A 45 -16.197 -10.868 8.776 1.00 19.89 C ATOM 266 CH2 TRP A 45 -15.328 -11.961 8.664 1.00 18.71 C ATOM 267 HE1 TRP A 45 -12.448 -11.833 11.742 1.00 0.00 H ATOM 268 H TRP A 45 -12.746 -7.063 12.518 1.00 0.00 H ATOM 269 N LYS A 46 -16.357 -5.078 11.453 1.00 23.12 N ATOM 270 CA LYS A 46 -17.040 -3.866 11.897 1.00 26.52 C ATOM 271 C LYS A 46 -17.696 -4.078 13.253 1.00 23.15 C ATOM 272 O LYS A 46 -18.487 -5.008 13.435 1.00 25.39 O ATOM 273 CB LYS A 46 -18.095 -3.456 10.880 1.00 19.66 C ATOM 274 CG LYS A 46 -18.571 -2.040 11.030 1.00 27.08 C ATOM 275 CD LYS A 46 -19.616 -1.717 9.970 1.00 37.54 C ATOM 276 CE LYS A 46 -19.907 -0.221 9.918 1.00 47.56 C ATOM 277 NZ LYS A 46 -20.889 0.126 8.845 1.00 53.12 N ATOM 278 HZ1 LYS A 46 -20.508 -0.162 7.921 1.00 0.00 H ATOM 279 HZ2 LYS A 46 -21.785 -0.372 9.022 1.00 0.00 H ATOM 280 HZ3 LYS A 46 -21.055 1.153 8.848 1.00 0.00 H ATOM 281 H LYS A 46 -16.649 -5.540 10.568 1.00 0.00 H ATOM 282 N GLY A 47 -17.385 -3.195 14.201 1.00 19.34 N ATOM 283 CA GLY A 47 -18.009 -3.268 15.501 1.00 19.35 C ATOM 284 C GLY A 47 -17.444 -4.323 16.416 1.00 21.64 C ATOM 285 O GLY A 47 -17.998 -4.536 17.497 1.00 20.71 O ATOM 286 H GLY A 47 -16.688 -2.448 14.003 1.00 0.00 H ATOM 287 N TYR A 48 -16.367 -5.012 16.006 1.00 17.78 N ATOM 288 CA TYR A 48 -15.673 -5.918 16.898 1.00 22.69 C ATOM 289 C TYR A 48 -14.268 -5.395 17.166 1.00 22.88 C ATOM 290 O TYR A 48 -13.702 -4.678 16.335 1.00 26.34 O ATOM 291 CB TYR A 48 -15.579 -7.333 16.313 1.00 21.06 C ATOM 292 CG TYR A 48 -16.903 -8.035 16.231 1.00 15.01 C ATOM 293 CD1 TYR A 48 -17.832 -7.698 15.246 1.00 20.76 C ATOM 294 CD2 TYR A 48 -17.238 -9.044 17.147 1.00 19.50 C ATOM 295 CE1 TYR A 48 -19.043 -8.335 15.172 1.00 20.77 C ATOM 296 CE2 TYR A 48 -18.455 -9.684 17.072 1.00 17.13 C ATOM 297 CZ TYR A 48 -19.354 -9.322 16.084 1.00 19.12 C ATOM 298 OH TYR A 48 -20.572 -9.958 15.983 1.00 24.04 O ATOM 299 HH TYR A 48 -21.082 -9.574 15.226 1.00 0.00 H ATOM 300 H TYR A 48 -16.025 -4.893 15.031 1.00 0.00 H ATOM 301 N PRO A 49 -13.681 -5.739 18.308 1.00 22.53 N ATOM 302 CA PRO A 49 -12.339 -5.246 18.632 1.00 22.00 C ATOM 303 C PRO A 49 -11.286 -5.858 17.724 1.00 22.20 C ATOM 304 O PRO A 49 -11.516 -6.867 17.054 1.00 21.49 O ATOM 305 CB PRO A 49 -12.136 -5.701 20.083 1.00 18.13 C ATOM 306 CG PRO A 49 -13.497 -6.071 20.580 1.00 24.67 C ATOM 307 CD PRO A 49 -14.230 -6.575 19.387 1.00 23.56 C ATOM 308 N GLU A 50 -10.102 -5.231 17.725 1.00 20.98 N ATOM 309 CA GLU A 50 -8.996 -5.744 16.919 1.00 24.44 C ATOM 310 C GLU A 50 -8.612 -7.156 17.322 1.00 23.12 C ATOM 311 O GLU A 50 -8.126 -7.922 16.487 1.00 22.95 O ATOM 312 CB GLU A 50 -7.769 -4.843 17.033 1.00 27.36 C ATOM 313 CG GLU A 50 -7.888 -3.490 16.359 1.00 35.00 C ATOM 314 CD GLU A 50 -6.603 -2.688 16.485 1.00 59.59 C ATOM 315 OE1 GLU A 50 -5.646 -3.191 17.118 1.00 63.85 O ATOM 316 OE2 GLU A 50 -6.544 -1.561 15.948 1.00 72.32 O ATOM 317 H GLU A 50 -9.969 -4.376 18.302 1.00 0.00 H ATOM 318 N THR A 51 -8.802 -7.512 18.596 1.00 20.43 N ATOM 319 CA THR A 51 -8.468 -8.854 19.063 1.00 22.69 C ATOM 320 C THR A 51 -9.217 -9.938 18.303 1.00 26.22 C ATOM 321 O THR A 51 -8.791 -11.099 18.318 1.00 27.66 O ATOM 322 CB THR A 51 -8.771 -8.978 20.555 1.00 27.12 C ATOM 323 OG1 THR A 51 -10.145 -8.648 20.784 1.00 32.30 O ATOM 324 CG2 THR A 51 -7.905 -8.021 21.339 1.00 38.28 C ATOM 325 HG1 THR A 51 -10.346 -8.727 21.750 1.00 0.00 H ATOM 326 H THR A 51 -9.195 -6.821 19.266 1.00 0.00 H ATOM 327 N GLU A 52 -10.312 -9.584 17.637 1.00 21.30 N ATOM 328 CA GLU A 52 -11.124 -10.524 16.880 1.00 19.86 C ATOM 329 C GLU A 52 -10.757 -10.585 15.405 1.00 19.28 C ATOM 330 O GLU A 52 -11.446 -11.276 14.648 1.00 19.88 O ATOM 331 CB GLU A 52 -12.604 -10.157 17.012 1.00 21.36 C ATOM 332 CG GLU A 52 -13.126 -10.189 18.452 1.00 20.98 C ATOM 333 CD GLU A 52 -13.360 -11.599 18.947 1.00 32.93 C ATOM 334 OE1 GLU A 52 -13.430 -12.518 18.101 1.00 28.68 O ATOM 335 OE2 GLU A 52 -13.471 -11.790 20.180 1.00 31.03 O ATOM 336 H GLU A 52 -10.602 -8.586 17.658 1.00 0.00 H ATOM 337 N ASN A 53 -9.719 -9.872 14.974 1.00 18.20 N ATOM 338 CA ASN A 53 -9.295 -9.945 13.580 1.00 18.76 C ATOM 339 C ASN A 53 -9.007 -11.390 13.218 1.00 21.51 C ATOM 340 O ASN A 53 -8.486 -12.154 14.032 1.00 22.90 O ATOM 341 CB ASN A 53 -8.044 -9.100 13.347 1.00 20.65 C ATOM 342 CG ASN A 53 -8.317 -7.621 13.433 1.00 21.11 C ATOM 343 OD1 ASN A 53 -9.453 -7.187 13.653 1.00 22.98 O ATOM 344 ND2 ASN A 53 -7.270 -6.827 13.260 1.00 23.87 N ATOM 345 HD22 ASN A 53 -6.332 -7.236 13.077 1.00 0.00 H ATOM 346 HD21 ASN A 53 -7.387 -5.795 13.307 1.00 0.00 H ATOM 347 H ASN A 53 -9.205 -9.257 15.637 1.00 0.00 H ATOM 348 N THR A 54 -9.351 -11.777 11.995 1.00 20.74 N ATOM 349 CA THR A 54 -9.124 -13.151 11.581 1.00 23.91 C ATOM 350 C THR A 54 -8.651 -13.185 10.140 1.00 22.17 C ATOM 351 O THR A 54 -8.979 -12.309 9.335 1.00 18.97 O ATOM 352 CB THR A 54 -10.378 -14.016 11.712 1.00 27.13 C ATOM 353 OG1 THR A 54 -11.463 -13.398 11.010 1.00 23.24 O ATOM 354 CG2 THR A 54 -10.752 -14.232 13.183 1.00 23.16 C ATOM 355 HG1 THR A 54 -12.273 -13.960 11.097 1.00 0.00 H ATOM 356 H THR A 54 -9.782 -11.098 11.335 1.00 0.00 H ATOM 357 N TRP A 55 -7.861 -14.214 9.843 1.00 20.21 N ATOM 358 CA TRP A 55 -7.502 -14.574 8.479 1.00 18.18 C ATOM 359 C TRP A 55 -8.627 -15.386 7.849 1.00 21.38 C ATOM 360 O TRP A 55 -9.007 -16.445 8.365 1.00 20.81 O ATOM 361 CB TRP A 55 -6.208 -15.382 8.469 1.00 21.01 C ATOM 362 CG TRP A 55 -4.971 -14.602 8.779 1.00 23.73 C ATOM 363 CD1 TRP A 55 -4.301 -14.565 9.965 1.00 22.12 C ATOM 364 CD2 TRP A 55 -4.240 -13.768 7.881 1.00 22.94 C ATOM 365 NE1 TRP A 55 -3.197 -13.763 9.861 1.00 22.40 N ATOM 366 CE2 TRP A 55 -3.137 -13.256 8.590 1.00 23.21 C ATOM 367 CE3 TRP A 55 -4.412 -13.400 6.540 1.00 22.88 C ATOM 368 CZ2 TRP A 55 -2.212 -12.392 8.009 1.00 22.92 C ATOM 369 CZ3 TRP A 55 -3.496 -12.537 5.969 1.00 21.86 C ATOM 370 CH2 TRP A 55 -2.410 -12.045 6.700 1.00 26.30 C ATOM 371 HE1 TRP A 55 -2.515 -13.570 10.622 1.00 0.00 H ATOM 372 H TRP A 55 -7.482 -14.788 10.623 1.00 0.00 H ATOM 373 N GLU A 56 -9.140 -14.907 6.717 1.00 17.53 N ATOM 374 CA GLU A 56 -10.222 -15.575 6.022 1.00 17.62 C ATOM 375 C GLU A 56 -9.806 -15.879 4.592 1.00 20.13 C ATOM 376 O GLU A 56 -9.169 -15.036 3.949 1.00 19.38 O ATOM 377 CB GLU A 56 -11.497 -14.712 6.001 1.00 18.70 C ATOM 378 CG GLU A 56 -12.035 -14.303 7.385 1.00 18.83 C ATOM 379 CD GLU A 56 -12.462 -15.488 8.241 1.00 23.87 C ATOM 380 OE1 GLU A 56 -12.765 -16.568 7.675 1.00 24.69 O ATOM 381 OE2 GLU A 56 -12.490 -15.338 9.487 1.00 20.04 O ATOM 382 H GLU A 56 -8.752 -14.027 6.320 1.00 0.00 H ATOM 383 N PRO A 57 -10.115 -17.073 4.079 1.00 21.29 N ATOM 384 CA PRO A 57 -9.870 -17.354 2.657 1.00 20.70 C ATOM 385 C PRO A 57 -10.658 -16.404 1.771 1.00 20.92 C ATOM 386 O PRO A 57 -11.776 -15.998 2.099 1.00 21.90 O ATOM 387 CB PRO A 57 -10.350 -18.800 2.490 1.00 23.56 C ATOM 388 CG PRO A 57 -11.306 -19.008 3.602 1.00 19.90 C ATOM 389 CD PRO A 57 -10.795 -18.187 4.758 1.00 26.62 C ATOM 390 N GLU A 58 -10.062 -16.050 0.632 1.00 21.54 N ATOM 391 CA GLU A 58 -10.646 -15.003 -0.196 1.00 17.81 C ATOM 392 C GLU A 58 -12.077 -15.323 -0.615 1.00 20.84 C ATOM 393 O GLU A 58 -12.875 -14.402 -0.803 1.00 21.22 O ATOM 394 CB GLU A 58 -9.765 -14.733 -1.418 1.00 26.57 C ATOM 395 CG GLU A 58 -9.680 -15.856 -2.417 1.00 32.55 C ATOM 396 CD GLU A 58 -8.933 -15.431 -3.673 1.00 37.28 C ATOM 397 OE1 GLU A 58 -9.008 -14.235 -4.044 1.00 35.97 O ATOM 398 OE2 GLU A 58 -8.253 -16.285 -4.278 1.00 39.32 O ATOM 399 H GLU A 58 -9.183 -16.520 0.335 1.00 0.00 H ATOM 400 N ASN A 59 -12.439 -16.603 -0.723 1.00 21.60 N ATOM 401 CA ASN A 59 -13.809 -16.936 -1.104 1.00 26.63 C ATOM 402 C ASN A 59 -14.808 -16.754 0.037 1.00 24.85 C ATOM 403 O ASN A 59 -16.016 -16.837 -0.200 1.00 24.73 O ATOM 404 CB ASN A 59 -13.887 -18.365 -1.663 1.00 29.77 C ATOM 405 CG ASN A 59 -13.097 -19.368 -0.845 1.00 43.10 C ATOM 406 OD1 ASN A 59 -11.911 -19.158 -0.535 1.00 36.98 O ATOM 407 ND2 ASN A 59 -13.747 -20.483 -0.498 1.00 34.75 N ATOM 408 HD22 ASN A 59 -14.739 -20.615 -0.780 1.00 0.00 H ATOM 409 HD21 ASN A 59 -13.261 -21.218 0.054 1.00 0.00 H ATOM 410 H ASN A 59 -11.749 -17.359 -0.537 1.00 0.00 H ATOM 411 N ASN A 60 -14.352 -16.481 1.261 1.00 19.39 N ATOM 412 CA ASN A 60 -15.293 -16.094 2.304 1.00 16.33 C ATOM 413 C ASN A 60 -15.778 -14.655 2.170 1.00 15.62 C ATOM 414 O ASN A 60 -16.742 -14.279 2.844 1.00 17.51 O ATOM 415 CB ASN A 60 -14.653 -16.265 3.677 1.00 15.41 C ATOM 416 CG ASN A 60 -14.797 -17.655 4.202 1.00 19.82 C ATOM 417 OD1 ASN A 60 -15.193 -18.556 3.468 1.00 23.87 O ATOM 418 ND2 ASN A 60 -14.467 -17.849 5.470 1.00 21.09 N ATOM 419 HD22 ASN A 60 -14.137 -17.051 6.049 1.00 0.00 H ATOM 420 HD21 ASN A 60 -14.538 -18.799 5.886 1.00 0.00 H ATOM 421 H ASN A 60 -13.335 -16.544 1.468 1.00 0.00 H ATOM 422 N LEU A 61 -15.131 -13.843 1.345 1.00 18.23 N ATOM 423 CA LEU A 61 -15.382 -12.409 1.325 1.00 17.46 C ATOM 424 C LEU A 61 -16.387 -12.055 0.242 1.00 19.84 C ATOM 425 O LEU A 61 -16.244 -12.484 -0.906 1.00 21.37 O ATOM 426 CB LEU A 61 -14.086 -11.629 1.096 1.00 21.40 C ATOM 427 CG LEU A 61 -13.203 -11.348 2.314 1.00 19.94 C ATOM 428 CD1 LEU A 61 -12.630 -12.623 2.934 1.00 17.80 C ATOM 429 CD2 LEU A 61 -12.098 -10.395 1.923 1.00 23.12 C ATOM 430 H LEU A 61 -14.425 -14.242 0.694 1.00 0.00 H ATOM 431 N ASP A 62 -17.386 -11.258 0.612 1.00 24.44 N ATOM 432 CA ASP A 62 -18.178 -10.483 -0.332 1.00 21.92 C ATOM 433 C ASP A 62 -17.834 -9.007 -0.126 1.00 25.07 C ATOM 434 O ASP A 62 -18.628 -8.223 0.395 1.00 23.32 O ATOM 435 CB ASP A 62 -19.682 -10.774 -0.139 1.00 26.90 C ATOM 436 CG ASP A 62 -20.529 -10.270 -1.299 1.00 32.23 C ATOM 437 OD1 ASP A 62 -21.775 -10.347 -1.209 1.00 32.22 O ATOM 438 OD2 ASP A 62 -19.950 -9.786 -2.294 1.00 31.50 O ATOM 439 H ASP A 62 -17.612 -11.185 1.625 1.00 0.00 H ATOM 440 N CYS A 63 -16.607 -8.648 -0.520 1.00 21.58 N ATOM 441 CA CYS A 63 -16.032 -7.319 -0.293 1.00 23.86 C ATOM 442 C CYS A 63 -15.283 -6.849 -1.533 1.00 21.28 C ATOM 443 O CYS A 63 -14.099 -6.521 -1.475 1.00 22.41 O ATOM 444 CB CYS A 63 -15.068 -7.319 0.893 1.00 28.67 C ATOM 445 SG CYS A 63 -15.739 -7.868 2.441 1.00 30.98 S ATOM 446 H CYS A 63 -16.027 -9.354 -1.017 1.00 0.00 H ATOM 447 N GLN A 64 -15.966 -6.831 -2.681 1.00 28.08 N ATOM 448 CA GLN A 64 -15.292 -6.466 -3.928 1.00 24.45 C ATOM 449 C GLN A 64 -14.609 -5.106 -3.817 1.00 23.35 C ATOM 450 O GLN A 64 -13.447 -4.952 -4.213 1.00 23.16 O ATOM 451 CB GLN A 64 -16.287 -6.471 -5.090 1.00 32.18 C ATOM 452 H GLN A 64 -16.977 -7.076 -2.689 1.00 0.00 H ATOM 453 N ASP A 65 -15.301 -4.116 -3.249 1.00 23.25 N ATOM 454 CA ASP A 65 -14.727 -2.777 -3.157 1.00 24.94 C ATOM 455 C ASP A 65 -13.470 -2.754 -2.295 1.00 22.12 C ATOM 456 O ASP A 65 -12.478 -2.104 -2.646 1.00 22.21 O ATOM 457 CB ASP A 65 -15.764 -1.796 -2.607 1.00 37.05 C ATOM 458 CG ASP A 65 -16.710 -1.283 -3.676 1.00 48.23 C ATOM 459 OD1 ASP A 65 -16.265 -1.104 -4.834 1.00 52.39 O ATOM 460 OD2 ASP A 65 -17.897 -1.052 -3.356 1.00 49.56 O ATOM 461 H ASP A 65 -16.252 -4.299 -2.871 1.00 0.00 H ATOM 462 N LEU A 66 -13.498 -3.425 -1.145 1.00 22.52 N ATOM 463 CA LEU A 66 -12.322 -3.418 -0.281 1.00 19.76 C ATOM 464 C LEU A 66 -11.162 -4.157 -0.927 1.00 20.73 C ATOM 465 O LEU A 66 -10.014 -3.707 -0.855 1.00 23.02 O ATOM 466 CB LEU A 66 -12.645 -4.046 1.072 1.00 19.34 C ATOM 467 CG LEU A 66 -13.538 -3.275 2.027 1.00 21.68 C ATOM 468 CD1 LEU A 66 -13.589 -4.038 3.334 1.00 22.52 C ATOM 469 CD2 LEU A 66 -12.984 -1.875 2.266 1.00 22.31 C ATOM 470 H LEU A 66 -14.351 -3.950 -0.865 1.00 0.00 H ATOM 471 N ILE A 67 -11.443 -5.300 -1.557 1.00 24.41 N ATOM 472 CA ILE A 67 -10.378 -6.086 -2.170 1.00 20.90 C ATOM 473 C ILE A 67 -9.717 -5.292 -3.289 1.00 20.53 C ATOM 474 O ILE A 67 -8.489 -5.166 -3.340 1.00 24.17 O ATOM 475 CB ILE A 67 -10.930 -7.431 -2.679 1.00 22.85 C ATOM 476 CG1 ILE A 67 -11.299 -8.351 -1.507 1.00 21.40 C ATOM 477 CG2 ILE A 67 -9.925 -8.083 -3.582 1.00 24.02 C ATOM 478 CD1 ILE A 67 -12.148 -9.547 -1.897 1.00 25.99 C ATOM 479 H ILE A 67 -12.427 -5.632 -1.611 1.00 0.00 H ATOM 480 N GLN A 68 -10.527 -4.713 -4.183 1.00 22.57 N ATOM 481 CA GLN A 68 -9.976 -3.923 -5.281 1.00 24.47 C ATOM 482 C GLN A 68 -9.190 -2.734 -4.754 1.00 25.98 C ATOM 483 O GLN A 68 -8.111 -2.416 -5.262 1.00 25.99 O ATOM 484 CB GLN A 68 -11.097 -3.459 -6.212 1.00 24.11 C ATOM 485 H GLN A 68 -11.557 -4.826 -4.095 1.00 0.00 H ATOM 486 N GLN A 69 -9.696 -2.084 -3.707 1.00 20.42 N ATOM 487 CA GLN A 69 -8.961 -0.973 -3.121 1.00 20.18 C ATOM 488 C GLN A 69 -7.668 -1.443 -2.463 1.00 27.37 C ATOM 489 O GLN A 69 -6.637 -0.775 -2.572 1.00 32.13 O ATOM 490 CB GLN A 69 -9.835 -0.242 -2.112 1.00 21.78 C ATOM 491 CG GLN A 69 -9.151 0.962 -1.530 1.00 18.23 C ATOM 492 CD GLN A 69 -8.828 1.985 -2.596 1.00 22.72 C ATOM 493 OE1 GLN A 69 -9.725 2.572 -3.184 1.00 23.87 O ATOM 494 NE2 GLN A 69 -7.543 2.195 -2.854 1.00 20.64 N ATOM 495 HE22 GLN A 69 -6.815 1.672 -2.328 1.00 0.00 H ATOM 496 HE21 GLN A 69 -7.265 2.883 -3.583 1.00 0.00 H ATOM 497 H GLN A 69 -10.614 -2.370 -3.310 1.00 0.00 H ATOM 498 N TYR A 70 -7.699 -2.588 -1.775 1.00 24.14 N ATOM 499 CA TYR A 70 -6.477 -3.110 -1.167 1.00 24.96 C ATOM 500 C TYR A 70 -5.454 -3.477 -2.231 1.00 30.72 C ATOM 501 O TYR A 70 -4.290 -3.071 -2.157 1.00 30.67 O ATOM 502 CB TYR A 70 -6.784 -4.331 -0.299 1.00 24.01 C ATOM 503 CG TYR A 70 -5.542 -4.934 0.316 1.00 26.41 C ATOM 504 CD1 TYR A 70 -4.821 -5.916 -0.345 1.00 29.54 C ATOM 505 CD2 TYR A 70 -5.078 -4.504 1.550 1.00 28.55 C ATOM 506 CE1 TYR A 70 -3.670 -6.460 0.208 1.00 32.15 C ATOM 507 CE2 TYR A 70 -3.932 -5.038 2.105 1.00 27.72 C ATOM 508 CZ TYR A 70 -3.237 -6.020 1.430 1.00 30.12 C ATOM 509 OH TYR A 70 -2.098 -6.554 1.978 1.00 34.57 O ATOM 510 HH TYR A 70 -1.729 -7.240 1.367 1.00 0.00 H ATOM 511 H TYR A 70 -8.594 -3.108 -1.672 1.00 0.00 H ATOM 512 N GLU A 71 -5.871 -4.270 -3.220 1.00 30.04 N ATOM 513 CA GLU A 71 -4.957 -4.705 -4.268 1.00 34.32 C ATOM 514 C GLU A 71 -4.449 -3.542 -5.112 1.00 41.21 C ATOM 515 O GLU A 71 -3.424 -3.683 -5.785 1.00 52.02 O ATOM 516 CB GLU A 71 -5.648 -5.747 -5.149 1.00 32.67 C ATOM 517 H GLU A 71 -6.863 -4.582 -3.243 1.00 0.00 H ATOM 518 N ALA A 72 -5.126 -2.395 -5.081 1.00 41.47 N ATOM 519 CA ALA A 72 -4.686 -1.231 -5.839 1.00 36.16 C ATOM 520 C ALA A 72 -3.645 -0.402 -5.104 1.00 47.11 C ATOM 521 O ALA A 72 -2.778 0.199 -5.749 1.00 45.48 O ATOM 522 CB ALA A 72 -5.884 -0.341 -6.183 1.00 37.13 C ATOM 523 H ALA A 72 -5.988 -2.329 -4.503 1.00 0.00 H ATOM 524 N SER A 73 -3.703 -0.361 -3.773 1.00 43.21 N ATOM 525 CA SER A 73 -2.877 0.545 -2.987 1.00 48.34 C ATOM 526 C SER A 73 -1.598 -0.086 -2.454 1.00 43.76 C ATOM 527 O SER A 73 -0.772 0.630 -1.881 1.00 53.20 O ATOM 528 CB SER A 73 -3.681 1.106 -1.807 1.00 46.95 C ATOM 529 OG SER A 73 -5.073 1.045 -2.063 1.00 40.77 O ATOM 530 HG SER A 73 -5.340 0.103 -2.209 1.00 0.00 H ATOM 531 H SER A 73 -4.360 -0.998 -3.279 1.00 0.00 H ATOM 532 N ARG A 74 -1.416 -1.390 -2.607 1.00 44.26 N ATOM 533 CA ARG A 74 -0.216 -2.042 -2.096 1.00 49.74 C ATOM 534 C ARG A 74 0.793 -2.244 -3.216 1.00 47.02 C ATOM 535 O ARG A 74 0.937 -1.387 -4.087 1.00 51.01 O ATOM 536 CB ARG A 74 -0.567 -3.379 -1.436 1.00 44.20 C ATOM 537 CG ARG A 74 -0.977 -3.272 0.032 1.00 44.95 C ATOM 538 CD ARG A 74 0.216 -3.454 0.982 1.00 53.38 C ATOM 539 NE ARG A 74 -0.168 -3.306 2.390 1.00 69.79 N ATOM 540 CZ ARG A 74 -0.331 -4.313 3.250 1.00 56.29 C ATOM 541 NH1 ARG A 74 -0.134 -5.566 2.865 1.00 49.31 N ATOM 542 NH2 ARG A 74 -0.688 -4.068 4.505 1.00 43.40 N ATOM 543 HE ARG A 74 -0.325 -2.341 2.745 1.00 0.00 H ATOM 544 HH12 ARG A 74 -0.263 -6.345 3.542 1.00 0.00 H ATOM 545 HH11 ARG A 74 0.150 -5.771 1.886 1.00 0.00 H ATOM 546 HH22 ARG A 74 -0.814 -4.855 5.173 1.00 0.00 H ATOM 547 HH21 ARG A 74 -0.841 -3.089 4.820 1.00 0.00 H ATOM 548 H ARG A 74 -2.138 -1.955 -3.098 1.00 0.00 H TER 549 ARG A 74 HETATM 550 O HOH 1 -15.622 -0.804 13.591 1.00 31.57 O HETATM 551 O HOH 2 -22.630 -9.074 14.714 1.00 30.03 O HETATM 552 O HOH 3 -2.965 2.437 -7.033 1.00 28.91 O HETATM 553 O HOH 4 -12.626 -13.520 15.803 1.00 27.89 O HETATM 554 O HOH 5 -19.321 -2.586 18.771 1.00 23.74 O HETATM 555 O HOH 6 -12.041 -7.670 14.185 1.00 19.31 O HETATM 556 O HOH 7 -18.917 -7.200 11.941 1.00 23.08 O HETATM 557 O HOH 8 -12.409 -0.807 -5.003 1.00 32.16 O HETATM 558 O HOH 9 -13.823 -1.760 16.471 1.00 24.54 O HETATM 559 O HOH 10 -7.394 -18.646 -3.299 1.00 32.98 O HETATM 560 O HOH 11 -15.622 -10.486 -2.644 1.00 27.17 O HETATM 561 O HOH 12 -14.515 -13.193 -2.885 1.00 34.61 O HETATM 562 O HOH 13 1.313 -22.997 3.657 1.00 29.87 O HETATM 563 O HOH 14 -10.017 -2.808 19.419 1.00 29.16 O HETATM 564 O HOH 15 -7.540 -16.116 12.170 1.00 27.20 O HETATM 565 O HOH 16 -8.758 -19.149 -0.598 1.00 44.20 O HETATM 566 O HOH 17 -21.582 -4.532 13.971 1.00 29.32 O HETATM 567 O HOH 18 -20.309 -12.616 2.834 1.00 32.33 O HETATM 568 O HOH 19 -16.519 -4.012 -0.139 1.00 24.03 O HETATM 569 N GLN A 20 -20.437 -5.539 1.631 1.00 0.24 N HETATM 570 CA GLN A 20 -19.151 -5.516 2.323 1.00 0.07 C HETATM 571 C GLN A 20 -19.179 -6.425 3.551 1.00 0.23 C HETATM 572 O GLN A 20 -19.128 -5.969 4.702 1.00 -0.39 O HETATM 573 N GLN A 20 -19.258 -7.729 3.296 1.00 -0.26 N HETATM 574 CA GLN A 20 -19.405 -8.721 4.352 1.00 0.16 C HETATM 575 C GLN A 20 -18.464 -9.883 4.078 1.00 0.21 C HETATM 576 O GLN A 20 -17.888 -9.999 2.994 1.00 -0.39 O HETATM 577 N GLN A 20 -18.322 -10.759 5.071 1.00 -0.26 N HETATM 578 CA GLN A 20 -17.547 -11.979 4.893 1.00 0.13 C HETATM 579 C GLN A 20 -18.027 -13.044 5.862 1.00 0.20 C HETATM 580 O GLN A 20 -18.517 -12.747 6.956 1.00 -0.39 O HETATM 581 N GLN A 20 -17.873 -14.294 5.441 1.00 -0.26 N HETATM 582 CA GLN A 20 -18.070 -15.443 6.303 1.00 0.13 C HETATM 583 C GLN A 20 -16.901 -15.521 7.279 1.00 0.20 C HETATM 584 O GLN A 20 -15.753 -15.385 6.885 1.00 -0.39 O HETATM 585 N GLN A 20 -17.190 -15.726 8.553 1.00 -0.26 N HETATM 586 CA GLN A 20 -16.153 -15.816 9.547 1.00 0.13 C HETATM 587 CB GLN A 20 -16.480 -14.964 10.781 1.00 -0.01 C HETATM 588 CG GLN A 20 -15.287 -14.871 11.706 1.00 -0.04 C HETATM 589 CD GLN A 20 -15.743 -14.498 13.105 1.00 -0.01 C HETATM 590 CE GLN A 20 -16.563 -13.229 12.968 1.00 -0.03 C HETATM 591 NZ GLN A 20 -16.765 -12.355 14.189 1.00 0.24 N HETATM 592 CM1 GLN A 20 -15.512 -12.151 14.978 1.00 -0.04 C HETATM 593 H46 GLN A 20 -15.726 -11.511 15.847 1.00 0.08 H HETATM 594 H47 GLN A 20 -14.754 -11.668 14.344 1.00 0.08 H HETATM 595 H48 GLN A 20 -15.134 -13.124 15.324 1.00 0.08 H HETATM 596 CM2 GLN A 20 -17.271 -11.034 13.714 1.00 -0.04 C HETATM 597 H49 GLN A 20 -18.193 -11.182 13.133 1.00 0.08 H HETATM 598 H50 GLN A 20 -16.510 -10.557 13.079 1.00 0.08 H HETATM 599 H51 GLN A 20 -17.483 -10.389 14.580 1.00 0.08 H HETATM 600 CM3 GLN A 20 -17.790 -12.996 15.075 1.00 -0.04 C HETATM 601 H52 GLN A 20 -17.416 -13.970 15.424 1.00 0.08 H HETATM 602 H53 GLN A 20 -18.722 -13.143 14.510 1.00 0.08 H HETATM 603 H54 GLN A 20 -17.984 -12.346 15.941 1.00 0.08 H HETATM 604 H44 GLN A 20 -17.561 -13.526 12.614 1.00 0.08 H HETATM 605 H45 GLN A 20 -16.073 -12.608 12.204 1.00 0.08 H HETATM 606 H42 GLN A 20 -14.873 -14.319 13.753 1.00 0.03 H HETATM 607 H43 GLN A 20 -16.359 -15.304 13.531 1.00 0.03 H HETATM 608 H40 GLN A 20 -14.595 -14.103 11.332 1.00 0.03 H HETATM 609 H41 GLN A 20 -14.774 -15.843 11.737 1.00 0.03 H HETATM 610 H38 GLN A 20 -17.320 -15.423 11.323 1.00 0.03 H HETATM 611 H39 GLN A 20 -16.762 -13.952 10.455 1.00 0.03 H HETATM 612 C GLN A 20 -15.953 -17.248 10.007 1.00 0.20 C HETATM 613 O GLN A 20 -16.884 -17.979 10.333 1.00 -0.39 O HETATM 614 N GLN A 20 -14.697 -17.678 10.021 1.00 -0.27 N HETATM 615 CA GLN A 20 -14.406 -19.052 10.422 1.00 0.12 C HETATM 616 C GLN A 20 -13.629 -19.092 11.734 1.00 0.06 C HETATM 617 O GLN A 20 -14.171 -19.472 12.775 1.00 -0.57 O HETATM 618 OXT GLN A 20 -12.446 -18.745 11.776 1.00 -0.57 O HETATM 619 CB GLN A 20 -13.642 -19.786 9.315 1.00 0.08 C HETATM 620 OG GLN A 20 -12.478 -19.076 8.922 1.00 -0.39 O HETATM 621 H59 GLN A 20 -12.726 -18.218 8.597 1.00 0.21 H HETATM 622 H57 GLN A 20 -14.302 -19.901 8.442 1.00 0.06 H HETATM 623 H58 GLN A 20 -13.346 -20.779 9.684 1.00 0.06 H HETATM 624 H56 GLN A 20 -15.363 -19.571 10.578 1.00 0.07 H HETATM 625 H55 GLN A 20 -13.953 -17.064 9.758 1.00 0.19 H HETATM 626 H37 GLN A 20 -15.216 -15.451 9.101 1.00 0.08 H HETATM 627 H36 GLN A 20 -18.146 -15.820 8.831 1.00 0.19 H HETATM 628 CB GLN A 20 -18.171 -16.710 5.454 1.00 -0.01 C HETATM 629 CG GLN A 20 -18.560 -17.968 6.177 1.00 -0.02 C HETATM 630 CD GLN A 20 -18.629 -19.103 5.167 1.00 0.06 C HETATM 631 NE GLN A 20 -19.149 -20.335 5.739 1.00 -0.27 N HETATM 632 CZ GLN A 20 -20.437 -20.656 5.776 1.00 0.29 C HETATM 633 NH1 GLN A 20 -21.349 -19.833 5.269 1.00 -0.28 N HETATM 634 H32 GLN A 20 -22.347 -20.087 5.301 1.00 0.26 H HETATM 635 H33 GLN A 20 -21.058 -18.941 4.845 1.00 0.26 H HETATM 636 NH2 GLN A 20 -20.812 -21.806 6.316 1.00 -0.28 N HETATM 637 H34 GLN A 20 -20.106 -22.445 6.709 1.00 0.26 H HETATM 638 H35 GLN A 20 -21.809 -22.061 6.343 1.00 0.26 H HETATM 639 H31 GLN A 20 -18.475 -21.002 6.141 1.00 0.26 H HETATM 640 H29 GLN A 20 -17.616 -19.294 4.783 1.00 0.07 H HETATM 641 H30 GLN A 20 -19.284 -18.797 4.338 1.00 0.07 H HETATM 642 H27 GLN A 20 -19.543 -17.834 6.652 1.00 0.03 H HETATM 643 H28 GLN A 20 -17.809 -18.201 6.946 1.00 0.03 H HETATM 644 H25 GLN A 20 -17.189 -16.881 4.989 1.00 0.03 H HETATM 645 H26 GLN A 20 -18.921 -16.529 4.670 1.00 0.03 H HETATM 646 H24 GLN A 20 -19.005 -15.319 6.870 1.00 0.08 H HETATM 647 H23 GLN A 20 -17.610 -14.449 4.489 1.00 0.19 H HETATM 648 CB GLN A 20 -16.047 -11.742 5.100 1.00 -0.02 C HETATM 649 H20 GLN A 20 -15.503 -12.687 4.956 1.00 0.03 H HETATM 650 H21 GLN A 20 -15.872 -11.370 6.120 1.00 0.03 H HETATM 651 H22 GLN A 20 -15.689 -10.999 4.372 1.00 0.03 H HETATM 652 H19 GLN A 20 -17.703 -12.339 3.865 1.00 0.08 H HETATM 653 H18 GLN A 20 -18.755 -10.576 5.954 1.00 0.19 H HETATM 654 CB GLN A 20 -20.848 -9.243 4.456 1.00 0.09 C HETATM 655 OG1 GLN A 20 -21.213 -9.897 3.231 1.00 -0.39 O HETATM 656 H14 GLN A 20 -20.624 -10.626 3.075 1.00 0.21 H HETATM 657 CG2 GLN A 20 -21.831 -8.106 4.752 1.00 -0.03 C HETATM 658 H15 GLN A 20 -22.851 -8.512 4.820 1.00 0.03 H HETATM 659 H16 GLN A 20 -21.785 -7.362 3.943 1.00 0.03 H HETATM 660 H17 GLN A 20 -21.562 -7.628 5.705 1.00 0.03 H HETATM 661 H13 GLN A 20 -20.899 -9.972 5.278 1.00 0.06 H HETATM 662 H12 GLN A 20 -19.132 -8.255 5.311 1.00 0.08 H HETATM 663 H11 GLN A 20 -19.215 -8.038 2.346 1.00 0.19 H HETATM 664 CB GLN A 20 -18.795 -4.092 2.716 1.00 0.02 C HETATM 665 CG GLN A 20 -17.379 -3.908 3.209 1.00 0.04 C HETATM 666 CD GLN A 20 -16.932 -2.466 3.111 1.00 0.17 C HETATM 667 OE1 GLN A 20 -16.778 -1.936 2.014 1.00 -0.40 O HETATM 668 NE2 GLN A 20 -16.732 -1.816 4.261 1.00 -0.30 N HETATM 669 H9 GLN A 20 -16.436 -0.861 4.250 1.00 0.18 H HETATM 670 H10 GLN A 20 -16.878 -2.285 5.132 1.00 0.18 H HETATM 671 H7 GLN A 20 -16.707 -4.531 2.601 1.00 0.05 H HETATM 672 H8 GLN A 20 -17.324 -4.227 4.260 1.00 0.05 H HETATM 673 H5 GLN A 20 -19.480 -3.776 3.517 1.00 0.04 H HETATM 674 H6 GLN A 20 -18.938 -3.448 1.836 1.00 0.04 H HETATM 675 H4 GLN A 20 -18.379 -5.890 1.634 1.00 0.11 H HETATM 676 H1 GLN A 20 -20.396 -4.934 0.826 1.00 0.20 H HETATM 677 H2 GLN A 20 -21.160 -5.219 2.256 1.00 0.20 H HETATM 678 H3 GLN A 20 -20.642 -6.480 1.334 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 569 570 676 677 678 CONECT 570 569 571 664 675 CONECT 571 570 572 573 CONECT 572 571 CONECT 573 571 574 663 CONECT 574 573 575 654 662 CONECT 575 574 576 577 CONECT 576 575 CONECT 577 575 578 653 CONECT 578 577 579 648 652 CONECT 579 578 580 581 CONECT 580 579 CONECT 581 579 582 647 CONECT 582 581 583 628 646 CONECT 583 582 584 585 CONECT 584 583 CONECT 585 583 586 627 CONECT 586 585 587 612 626 CONECT 587 586 588 610 611 CONECT 588 587 589 608 609 CONECT 589 588 590 606 607 CONECT 590 589 591 604 605 CONECT 591 590 592 596 600 CONECT 592 591 593 594 595 CONECT 593 592 CONECT 594 592 CONECT 595 592 CONECT 596 591 597 598 599 CONECT 597 596 CONECT 598 596 CONECT 599 596 CONECT 600 591 601 602 603 CONECT 601 600 CONECT 602 600 CONECT 603 600 CONECT 604 590 CONECT 605 590 CONECT 606 589 CONECT 607 589 CONECT 608 588 CONECT 609 588 CONECT 610 587 CONECT 611 587 CONECT 612 586 613 614 CONECT 613 612 CONECT 614 612 615 625 CONECT 615 614 616 619 624 CONECT 616 615 617 618 CONECT 617 616 CONECT 618 616 CONECT 619 615 620 622 623 CONECT 620 619 621 CONECT 621 620 CONECT 622 619 CONECT 623 619 CONECT 624 615 CONECT 625 614 CONECT 626 586 CONECT 627 585 CONECT 628 582 629 644 645 CONECT 629 628 630 642 643 CONECT 630 629 631 640 641 CONECT 631 630 632 639 CONECT 632 631 633 636 CONECT 633 632 634 635 CONECT 634 633 CONECT 635 633 CONECT 636 632 637 638 CONECT 637 636 CONECT 638 636 CONECT 639 631 CONECT 640 630 CONECT 641 630 CONECT 642 629 CONECT 643 629 CONECT 644 628 CONECT 645 628 CONECT 646 582 CONECT 647 581 CONECT 648 578 649 650 651 CONECT 649 648 CONECT 650 648 CONECT 651 648 CONECT 652 578 CONECT 653 577 CONECT 654 574 655 657 661 CONECT 655 654 656 CONECT 656 655 CONECT 657 654 658 659 660 CONECT 658 657 CONECT 659 657 CONECT 660 657 CONECT 661 654 CONECT 662 574 CONECT 663 573 CONECT 664 570 665 673 674 CONECT 665 664 666 671 672 CONECT 666 665 667 668 CONECT 667 666 CONECT 668 666 669 670 CONECT 669 668 CONECT 670 668 CONECT 671 665 CONECT 672 665 CONECT 673 664 CONECT 674 664 CONECT 675 570 CONECT 676 569 CONECT 677 569 CONECT 678 569 MASTER 0 0 0 0 0 0 0 0 677 1 114 5 END
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Related entries of code: 6asz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1kna
RCSB PDB
PDBbind
69aa, >1KNA_1|Chain... *
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RCSB PDB
PDBbind
69aa, >1KNE_1|Chain... at 100%
6at0
RCSB PDB
PDBbind
69aa, >6AT0_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a7c
RCSB PDB
PDBbind
6-mer
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6-mer
1okv
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PDBbind
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1ol2
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6-mer
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RCSB PDB
PDBbind
6-mer
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PDBbind
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PDBbind
6-mer
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PDBbind
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1xt3
RCSB PDB
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RCSB PDB
PDBbind
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1zfp
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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PDBbind
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2q6f
RCSB PDB
PDBbind
6-mer
2qzx
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6-mer
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
6-mer
3aw0
RCSB PDB
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PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
6-mer
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PDBbind
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PDBbind
6-mer
3luo
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PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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6-mer
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PDBbind
6-mer
3sna
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PDBbind
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PDBbind
6-mer
3snc
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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3ux0
RCSB PDB
PDBbind
6-mer
3wqw
RCSB PDB
PDBbind
6-mer
3zmt
RCSB PDB
PDBbind
6-mer
3zmu
RCSB PDB
PDBbind
6-mer
3zmv
RCSB PDB
PDBbind
6-mer
3zmz
RCSB PDB
PDBbind
6-mer
3zn0
RCSB PDB
PDBbind
6-mer
3zn1
RCSB PDB
PDBbind
6-mer
4a0j
RCSB PDB
PDBbind
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PDBbind
6-mer
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RCSB PDB
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4fz3
RCSB PDB
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PDBbind
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RCSB PDB
PDBbind
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4ikn
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
6-mer
4k3p
RCSB PDB
PDBbind
6-mer
4k3q
RCSB PDB
PDBbind
6-mer
4k3r
RCSB PDB
PDBbind
6-mer
4ny3
RCSB PDB
PDBbind
6-mer
4o9w
RCSB PDB
PDBbind
6-mer
4ou3
RCSB PDB
PDBbind
6-mer
4tsz
RCSB PDB
PDBbind
6-mer
4tt2
RCSB PDB
PDBbind
6-mer
4wk2
RCSB PDB
PDBbind
6-mer
4wvt
RCSB PDB
PDBbind
6-mer
4x9r
RCSB PDB
PDBbind
6-mer
4x9v
RCSB PDB
PDBbind
6-mer
4ynl
RCSB PDB
PDBbind
6-mer
5a2i
RCSB PDB
PDBbind
6-mer
5a2j
RCSB PDB
PDBbind
6-mer
5a2k
RCSB PDB
PDBbind
6-mer
5e1b
RCSB PDB
PDBbind
6-mer
5e1d
RCSB PDB
PDBbind
6-mer
5e1m
RCSB PDB
PDBbind
6-mer
5e1o
RCSB PDB
PDBbind
6-mer
5epk
RCSB PDB
PDBbind
6-mer
5epl
RCSB PDB
PDBbind
6-mer
5eq0
RCSB PDB
PDBbind
6-mer
5fot
RCSB PDB
PDBbind
6-mer
5fou
RCSB PDB
PDBbind
6-mer
5fov
RCSB PDB
PDBbind
6-mer
5fow
RCSB PDB
PDBbind
6-mer
5fox
RCSB PDB
PDBbind
6-mer
5fpk
RCSB PDB
PDBbind
6-mer
5gwz
RCSB PDB
PDBbind
6-mer
5hvp
RCSB PDB
PDBbind
6-mer
5izf
RCSB PDB
PDBbind
6-mer
5l7k
RCSB PDB
PDBbind
6-mer
5lrg
RCSB PDB
PDBbind
6-mer
5lrj
RCSB PDB
PDBbind
6-mer
5lrk
RCSB PDB
PDBbind
6-mer
5lso
RCSB PDB
PDBbind
6-mer
5tpc
RCSB PDB
PDBbind
6-mer
5w94
RCSB PDB
PDBbind
6-mer
5y24
RCSB PDB
PDBbind
6-mer
6apr
RCSB PDB
PDBbind
6-mer
6at0
RCSB PDB
PDBbind
6-mer
6cdg
RCSB PDB
PDBbind
6-mer
6cgt
RCSB PDB
PDBbind
6-mer
6do4
RCSB PDB
PDBbind
6-mer
6do5
RCSB PDB
PDBbind
6-mer
6dub
RCSB PDB
PDBbind
6-mer
6eqx
RCSB PDB
PDBbind
6-mer
7hvp
RCSB PDB
PDBbind
6-mer
6rhe
RCSB PDB
PDBbind
6-mer
6nsx
RCSB PDB
PDBbind
6-mer
6nsv
RCSB PDB
PDBbind
6-mer
6jij
RCSB PDB
PDBbind
6-mer
6im4
RCSB PDB
PDBbind
6-mer
6hzd
RCSB PDB
PDBbind
6-mer
6hzc
RCSB PDB
PDBbind
6-mer
6hp5
RCSB PDB
PDBbind
6-mer
6hmy
RCSB PDB
PDBbind
6-mer
6hle
RCSB PDB
PDBbind
6-mer
6fvo
RCSB PDB
PDBbind
6-mer
6fvn
RCSB PDB
PDBbind
6-mer
6fvm
RCSB PDB
PDBbind
6-mer
6fvl
RCSB PDB
PDBbind
6-mer
6efk
RCSB PDB
PDBbind
6-mer
6a30
RCSB PDB
PDBbind
6-mer
5zw6
RCSB PDB
PDBbind
6-mer
5zvw
RCSB PDB
PDBbind
6-mer
Entry Information
PDB ID
6asz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Heterochromatin protein 1
Ligand Name
6-mer
EC.Number
E.C.-.-.-.-
Resolution
1.52(Å)
Affinity (Kd/Ki/IC50)
Kd=19uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Am. Chem. Soc. Vol. 139: pp. 17253-17256
Ligand Properties
Formula
C
3
0
H
6
0
N
1
1
O
1
0
Molecular Weight
734.865
Exact Mass
734.452
No. of atoms
111
No. of bonds
110
Polar Surface Area
360
LOGP Value
-4.55 (
Computed with XLOGP3
)
-4.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)N)[NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C30H57N11O10/c1-16(36-28(49)23(17(2)43)40-25(46)18(31)11-12-22(32)44)24(45)37-20(10-8-13-35-30(33)34)26(47)38-19(9-6-7-14-41(3,4)5)27(48)39-21(15-42)29(50)51/h16-21,23,42-43H,6-15,31H2,1-5H3,(H11-,32,33,34,35,36,37,38,39,40,44,45,46,47,48,49,50,51)/p+3/t16-,17+,18-,19-,20-,21-,23-/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):
P05205
P02299
Entrez Gene ID
NCBI Entrez Gene ID:
34119
318847
3771723
3771729
3771771
3771792
3771959
3772032
3772149
3772163
3772173
3772189
3772191
3772198
3772231
3772370
3772374
3772421
3772489
3772517
3772518
3772552
3772607
3772619
ASD
Information of known allosteric effects of PDB entries
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