Browse entries in the PDBbind-CN Database
HEADER 2OEI_COMPLEX COMPND 2OEI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 37 GLY SER ASP LEU PRO ALA GLY TRP MET ARG VAL GLN ASP SEQRES 2 A 37 THR SER GLY THR TYR TYR TRP HIS ILE PRO THR GLY THR SEQRES 3 A 37 THR GLN TRP GLU PRO PRO GLY ARG ALA SER PRO HET PRO A 74 130 ATOM 1 N GLY A 252 18.556 -14.106 6.103 1.00 45.79 N ATOM 2 CA GLY A 252 18.160 -13.411 7.389 1.00 44.55 C ATOM 3 C GLY A 252 18.209 -14.295 8.627 1.00 43.17 C ATOM 4 O GLY A 252 18.044 -15.520 8.510 1.00 46.32 O ATOM 5 HA3 GLY A 252 17.141 -13.040 7.276 1.00 0.00 H ATOM 6 HA2 GLY A 252 18.836 -12.570 7.544 1.00 0.00 H ATOM 7 HN3 GLY A 252 17.913 -14.905 5.930 1.00 0.00 H ATOM 8 HN2 GLY A 252 19.532 -14.456 6.186 1.00 0.00 H ATOM 9 HN1 GLY A 252 18.494 -13.432 5.313 1.00 0.00 H ATOM 10 N SER A 253 18.390 -13.712 9.822 1.00 39.52 N ATOM 11 CA SER A 253 18.083 -12.286 10.111 1.00 35.59 C ATOM 12 C SER A 253 19.297 -11.416 10.451 1.00 35.06 C ATOM 13 O SER A 253 20.191 -11.824 11.198 1.00 36.71 O ATOM 14 CB SER A 253 17.121 -12.192 11.299 1.00 34.79 C ATOM 15 OG SER A 253 16.814 -10.813 11.582 1.00 29.88 O ATOM 16 HA SER A 253 17.655 -11.905 9.184 1.00 0.00 H ATOM 17 HB2 SER A 253 17.585 -12.645 12.175 1.00 0.00 H ATOM 18 HB3 SER A 253 16.200 -12.725 11.060 1.00 0.00 H ATOM 19 HG SER A 253 16.192 -10.766 12.351 1.00 0.00 H ATOM 20 H SER A 253 18.769 -14.295 10.595 1.00 0.00 H ATOM 21 N ASP A 254 19.263 -10.181 9.977 1.00 32.97 N ATOM 22 CA ASP A 254 20.282 -9.207 10.256 1.00 32.53 C ATOM 23 C ASP A 254 19.895 -8.312 11.429 1.00 30.75 C ATOM 24 O ASP A 254 20.530 -7.282 11.648 1.00 32.55 O ATOM 25 CB ASP A 254 20.579 -8.368 9.003 1.00 32.85 C ATOM 26 CG ASP A 254 19.388 -7.537 8.522 1.00 35.48 C ATOM 27 OD1 ASP A 254 18.298 -7.625 9.094 1.00 36.70 O ATOM 28 OD2 ASP A 254 19.540 -6.746 7.556 1.00 41.40 O ATOM 29 HA ASP A 254 21.188 -9.743 10.539 1.00 0.00 H ATOM 30 HB2 ASP A 254 21.402 -7.691 9.229 1.00 0.00 H ATOM 31 HB3 ASP A 254 20.875 -9.042 8.199 1.00 0.00 H ATOM 32 H ASP A 254 18.462 -9.903 9.375 1.00 0.00 H ATOM 33 N LEU A 255 18.851 -8.675 12.186 1.00 27.19 N ATOM 34 CA LEU A 255 18.393 -7.807 13.261 1.00 25.00 C ATOM 35 C LEU A 255 18.725 -8.424 14.601 1.00 23.64 C ATOM 36 O LEU A 255 18.515 -9.609 14.797 1.00 25.90 O ATOM 37 CB LEU A 255 16.866 -7.576 13.190 1.00 23.42 C ATOM 38 CG LEU A 255 16.246 -6.992 11.924 1.00 25.52 C ATOM 39 CD1 LEU A 255 14.715 -6.892 12.006 1.00 25.85 C ATOM 40 CD2 LEU A 255 16.816 -5.604 11.722 1.00 27.45 C ATOM 41 HA LEU A 255 18.901 -6.849 13.147 1.00 0.00 H ATOM 42 HB2 LEU A 255 16.392 -8.543 13.357 1.00 0.00 H ATOM 43 HB3 LEU A 255 16.610 -6.902 14.007 1.00 0.00 H ATOM 44 HG LEU A 255 16.483 -7.656 11.093 1.00 0.00 H ATOM 45 HD21 LEU A 255 16.570 -4.983 12.583 1.00 0.00 H ATOM 46 HD22 LEU A 255 17.899 -5.669 11.616 1.00 0.00 H ATOM 47 HD23 LEU A 255 16.388 -5.164 10.821 1.00 0.00 H ATOM 48 HD11 LEU A 255 14.295 -7.886 12.157 1.00 0.00 H ATOM 49 HD12 LEU A 255 14.438 -6.249 12.842 1.00 0.00 H ATOM 50 HD13 LEU A 255 14.330 -6.470 11.078 1.00 0.00 H ATOM 51 H LEU A 255 18.367 -9.578 12.005 1.00 0.00 H ATOM 52 N PRO A 256 19.206 -7.624 15.547 1.00 23.03 N ATOM 53 CA PRO A 256 19.323 -8.157 16.892 1.00 22.23 C ATOM 54 C PRO A 256 17.953 -8.506 17.481 1.00 20.54 C ATOM 55 O PRO A 256 16.925 -7.967 17.077 1.00 20.41 O ATOM 56 CB PRO A 256 19.912 -6.994 17.680 1.00 23.38 C ATOM 57 CG PRO A 256 20.444 -6.051 16.698 1.00 26.27 C ATOM 58 CD PRO A 256 19.585 -6.198 15.503 1.00 23.78 C ATOM 59 HA PRO A 256 19.918 -9.070 16.917 1.00 0.00 H ATOM 60 HD3 PRO A 256 18.707 -5.556 15.569 1.00 0.00 H ATOM 61 HD2 PRO A 256 20.136 -5.966 14.592 1.00 0.00 H ATOM 62 HG3 PRO A 256 21.478 -6.295 16.456 1.00 0.00 H ATOM 63 HG2 PRO A 256 20.393 -5.032 17.081 1.00 0.00 H ATOM 64 HB2 PRO A 256 19.138 -6.516 18.280 1.00 0.00 H ATOM 65 HB3 PRO A 256 20.710 -7.348 18.333 1.00 0.00 H ATOM 66 N ALA A 257 17.942 -9.399 18.457 1.00 19.68 N ATOM 67 CA ALA A 257 16.735 -9.756 19.141 1.00 18.21 C ATOM 68 C ALA A 257 16.095 -8.487 19.701 1.00 18.60 C ATOM 69 O ALA A 257 16.761 -7.561 20.172 1.00 19.47 O ATOM 70 CB ALA A 257 17.081 -10.737 20.279 1.00 20.11 C ATOM 71 HA ALA A 257 16.032 -10.237 18.461 1.00 0.00 H ATOM 72 HB1 ALA A 257 17.546 -11.629 19.859 1.00 0.00 H ATOM 73 HB2 ALA A 257 17.772 -10.258 20.973 1.00 0.00 H ATOM 74 HB3 ALA A 257 16.169 -11.016 20.807 1.00 0.00 H ATOM 75 H ALA A 257 18.834 -9.855 18.735 1.00 0.00 H ATOM 76 N GLY A 258 14.783 -8.466 19.644 1.00 17.03 N ATOM 77 CA GLY A 258 13.986 -7.366 20.085 1.00 16.73 C ATOM 78 C GLY A 258 13.541 -6.405 19.028 1.00 16.44 C ATOM 79 O GLY A 258 12.626 -5.632 19.244 1.00 17.21 O ATOM 80 HA3 GLY A 258 14.567 -6.808 20.819 1.00 0.00 H ATOM 81 HA2 GLY A 258 13.094 -7.772 20.562 1.00 0.00 H ATOM 82 H GLY A 258 14.296 -9.299 19.255 1.00 0.00 H ATOM 83 N TRP A 259 14.151 -6.496 17.856 1.00 16.14 N ATOM 84 CA TRP A 259 13.846 -5.593 16.723 1.00 16.56 C ATOM 85 C TRP A 259 13.014 -6.307 15.672 1.00 16.66 C ATOM 86 O TRP A 259 13.237 -7.499 15.387 1.00 18.48 O ATOM 87 CB TRP A 259 15.150 -5.131 16.093 1.00 17.54 C ATOM 88 CG TRP A 259 15.936 -4.212 16.914 1.00 17.89 C ATOM 89 CD1 TRP A 259 16.982 -4.512 17.756 1.00 22.18 C ATOM 90 CD2 TRP A 259 15.824 -2.768 16.922 1.00 17.71 C ATOM 91 NE1 TRP A 259 17.474 -3.357 18.308 1.00 21.82 N ATOM 92 CE2 TRP A 259 16.819 -2.271 17.782 1.00 20.39 C ATOM 93 CE3 TRP A 259 14.989 -1.861 16.270 1.00 19.31 C ATOM 94 CZ2 TRP A 259 16.978 -0.909 18.013 1.00 19.73 C ATOM 95 CZ3 TRP A 259 15.169 -0.493 16.512 1.00 19.37 C ATOM 96 CH2 TRP A 259 16.146 -0.038 17.359 1.00 20.60 C ATOM 97 HA TRP A 259 13.279 -4.741 17.098 1.00 0.00 H ATOM 98 HB2 TRP A 259 15.760 -6.012 15.891 1.00 0.00 H ATOM 99 HB3 TRP A 259 14.914 -4.630 15.154 1.00 0.00 H ATOM 100 HE1 TRP A 259 18.231 -3.311 19.020 1.00 0.00 H ATOM 101 HD1 TRP A 259 17.362 -5.514 17.954 1.00 0.00 H ATOM 102 HZ2 TRP A 259 17.744 -0.544 18.696 1.00 0.00 H ATOM 103 HH2 TRP A 259 16.263 1.034 17.515 1.00 0.00 H ATOM 104 HZ3 TRP A 259 14.517 0.226 16.015 1.00 0.00 H ATOM 105 HE3 TRP A 259 14.214 -2.209 15.587 1.00 0.00 H ATOM 106 H TRP A 259 14.874 -7.232 17.726 1.00 0.00 H ATOM 107 N MET A 260 12.098 -5.572 15.034 1.00 16.81 N ATOM 108 CA MET A 260 11.450 -6.035 13.845 1.00 15.66 C ATOM 109 C MET A 260 11.388 -4.904 12.827 1.00 16.11 C ATOM 110 O MET A 260 11.342 -3.728 13.180 1.00 17.39 O ATOM 111 CB MET A 260 10.034 -6.480 14.155 1.00 16.59 C ATOM 112 CG MET A 260 10.002 -7.743 15.061 1.00 17.42 C ATOM 113 SD MET A 260 8.311 -8.397 15.254 1.00 18.20 S ATOM 114 CE MET A 260 8.207 -9.490 13.813 1.00 21.63 C ATOM 115 HA MET A 260 12.018 -6.876 13.446 1.00 0.00 H ATOM 116 HB2 MET A 260 9.514 -5.669 14.664 1.00 0.00 H ATOM 117 HB3 MET A 260 9.524 -6.706 13.219 1.00 0.00 H ATOM 118 HG2 MET A 260 10.394 -7.482 16.044 1.00 0.00 H ATOM 119 HG3 MET A 260 10.630 -8.514 14.614 1.00 0.00 H ATOM 120 HE1 MET A 260 8.349 -8.905 12.904 1.00 0.00 H ATOM 121 HE2 MET A 260 8.982 -10.253 13.881 1.00 0.00 H ATOM 122 HE3 MET A 260 7.227 -9.967 13.790 1.00 0.00 H ATOM 123 H MET A 260 11.849 -4.636 15.413 1.00 0.00 H ATOM 124 N ARG A 261 11.314 -5.273 11.567 1.00 17.00 N ATOM 125 CA ARG A 261 10.949 -4.363 10.506 1.00 17.17 C ATOM 126 C ARG A 261 9.443 -4.135 10.483 1.00 16.45 C ATOM 127 O ARG A 261 8.677 -5.062 10.750 1.00 17.95 O ATOM 128 CB ARG A 261 11.422 -4.947 9.157 1.00 17.48 C ATOM 129 CG ARG A 261 12.887 -4.827 8.931 1.00 19.92 C ATOM 130 CD ARG A 261 13.331 -5.318 7.516 1.00 22.11 C ATOM 131 NE ARG A 261 14.724 -5.008 7.238 1.00 27.11 N ATOM 132 CZ ARG A 261 15.769 -5.684 7.643 1.00 28.41 C ATOM 133 NH1 ARG A 261 15.655 -6.803 8.306 1.00 28.98 N ATOM 134 NH2 ARG A 261 16.970 -5.213 7.333 1.00 29.77 N ATOM 135 HA ARG A 261 11.431 -3.401 10.679 1.00 0.00 H ATOM 136 HB2 ARG A 261 11.155 -6.003 9.127 1.00 0.00 H ATOM 137 HB3 ARG A 261 10.906 -4.420 8.354 1.00 0.00 H ATOM 138 HG2 ARG A 261 13.171 -3.780 9.040 1.00 0.00 H ATOM 139 HG3 ARG A 261 13.404 -5.422 9.683 1.00 0.00 H ATOM 140 HD2 ARG A 261 12.707 -4.834 6.765 1.00 0.00 H ATOM 141 HD3 ARG A 261 13.194 -6.398 7.460 1.00 0.00 H ATOM 142 HE ARG A 261 14.909 -4.164 6.659 1.00 0.00 H ATOM 143 HH12 ARG A 261 16.507 -7.315 8.613 1.00 0.00 H ATOM 144 HH11 ARG A 261 14.712 -7.183 8.527 1.00 0.00 H ATOM 145 HH22 ARG A 261 17.823 -5.723 7.638 1.00 0.00 H ATOM 146 HH21 ARG A 261 17.058 -4.333 6.785 1.00 0.00 H ATOM 147 H ARG A 261 11.527 -6.262 11.324 1.00 0.00 H ATOM 148 N VAL A 262 9.034 -2.896 10.167 1.00 16.95 N ATOM 149 CA VAL A 262 7.655 -2.515 10.007 1.00 18.22 C ATOM 150 C VAL A 262 7.434 -1.823 8.688 1.00 19.48 C ATOM 151 O VAL A 262 8.201 -0.943 8.328 1.00 18.63 O ATOM 152 CB VAL A 262 7.207 -1.579 11.133 1.00 17.14 C ATOM 153 CG1 VAL A 262 5.721 -1.238 11.004 1.00 19.74 C ATOM 154 CG2 VAL A 262 7.517 -2.207 12.513 1.00 18.08 C ATOM 155 HA VAL A 262 7.066 -3.431 10.040 1.00 0.00 H ATOM 156 HB VAL A 262 7.768 -0.648 11.049 1.00 0.00 H ATOM 157 HG11 VAL A 262 5.544 -0.745 10.048 1.00 0.00 H ATOM 158 HG12 VAL A 262 5.133 -2.155 11.056 1.00 0.00 H ATOM 159 HG13 VAL A 262 5.430 -0.572 11.817 1.00 0.00 H ATOM 160 HG21 VAL A 262 6.987 -3.155 12.607 1.00 0.00 H ATOM 161 HG22 VAL A 262 8.590 -2.379 12.600 1.00 0.00 H ATOM 162 HG23 VAL A 262 7.192 -1.528 13.301 1.00 0.00 H ATOM 163 H VAL A 262 9.760 -2.164 10.029 1.00 0.00 H ATOM 164 N GLN A 263 6.453 -2.328 7.915 1.00 20.58 N ATOM 165 CA GLN A 263 6.089 -1.784 6.630 1.00 22.16 C ATOM 166 C GLN A 263 5.238 -0.527 6.737 1.00 20.83 C ATOM 167 O GLN A 263 4.277 -0.416 7.548 1.00 24.31 O ATOM 168 CB GLN A 263 5.271 -2.826 5.788 1.00 24.29 C ATOM 169 CG GLN A 263 5.194 -2.436 4.312 1.00 27.88 C ATOM 170 CD GLN A 263 6.575 -2.400 3.695 1.00 26.96 C ATOM 171 OE1 GLN A 263 7.168 -3.452 3.429 1.00 33.93 O ATOM 172 NE2 GLN A 263 7.121 -1.156 3.454 1.00 29.42 N ATOM 173 HA GLN A 263 7.034 -1.539 6.145 1.00 0.00 H ATOM 174 HB2 GLN A 263 5.752 -3.801 5.870 1.00 0.00 H ATOM 175 HB3 GLN A 263 4.259 -2.887 6.189 1.00 0.00 H ATOM 176 HG2 GLN A 263 4.583 -3.166 3.780 1.00 0.00 H ATOM 177 HG3 GLN A 263 4.737 -1.450 4.226 1.00 0.00 H ATOM 178 HE22 GLN A 263 6.585 -0.298 3.694 1.00 0.00 H ATOM 179 HE21 GLN A 263 8.068 -1.077 3.032 1.00 0.00 H ATOM 180 H GLN A 263 5.929 -3.156 8.264 1.00 0.00 H ATOM 181 N ASP A 264 5.623 0.488 5.974 1.00 19.73 N ATOM 182 CA ASP A 264 4.807 1.648 5.758 1.00 19.63 C ATOM 183 C ASP A 264 4.870 2.040 4.294 1.00 18.70 C ATOM 184 O ASP A 264 5.786 1.665 3.612 1.00 17.93 O ATOM 185 CB ASP A 264 5.339 2.776 6.610 1.00 20.54 C ATOM 186 CG ASP A 264 4.406 3.974 6.582 1.00 20.11 C ATOM 187 OD1 ASP A 264 3.322 3.859 7.169 1.00 27.56 O ATOM 188 OD2 ASP A 264 4.756 5.035 5.992 1.00 21.68 O ATOM 189 HA ASP A 264 3.772 1.437 6.027 1.00 0.00 H ATOM 190 HB2 ASP A 264 5.440 2.428 7.638 1.00 0.00 H ATOM 191 HB3 ASP A 264 6.316 3.077 6.232 1.00 0.00 H ATOM 192 H ASP A 264 6.554 0.441 5.514 1.00 0.00 H ATOM 193 N THR A 265 3.911 2.831 3.836 1.00 20.00 N ATOM 194 CA THR A 265 3.925 3.341 2.472 1.00 19.69 C ATOM 195 C THR A 265 5.218 4.106 2.204 1.00 18.10 C ATOM 196 O THR A 265 5.729 4.119 1.076 1.00 18.90 O ATOM 197 CB THR A 265 2.673 4.227 2.173 1.00 21.82 C ATOM 198 OG1 THR A 265 2.625 5.343 3.062 1.00 22.57 O ATOM 199 CG2 THR A 265 1.390 3.425 2.325 1.00 22.96 C ATOM 200 HA THR A 265 3.882 2.488 1.795 1.00 0.00 H ATOM 201 HB THR A 265 2.759 4.579 1.145 1.00 0.00 H ATOM 202 HG1 THR A 265 2.573 5.018 3.996 1.00 0.00 H ATOM 203 HG23 THR A 265 1.416 2.569 1.650 1.00 0.00 H ATOM 204 HG21 THR A 265 1.301 3.075 3.354 1.00 0.00 H ATOM 205 HG22 THR A 265 0.537 4.057 2.080 1.00 0.00 H ATOM 206 H THR A 265 3.128 3.095 4.467 1.00 0.00 H ATOM 207 N SER A 266 5.761 4.753 3.246 1.00 18.03 N ATOM 208 CA SER A 266 6.943 5.598 3.095 1.00 17.26 C ATOM 209 C SER A 266 8.267 4.865 3.222 1.00 16.26 C ATOM 210 O SER A 266 9.340 5.418 3.042 1.00 16.90 O ATOM 211 CB SER A 266 6.906 6.756 4.070 1.00 18.29 C ATOM 212 OG SER A 266 7.018 6.313 5.405 1.00 19.01 O ATOM 213 HA SER A 266 6.896 5.964 2.069 1.00 0.00 H ATOM 214 HB2 SER A 266 5.963 7.289 3.952 1.00 0.00 H ATOM 215 HB3 SER A 266 7.733 7.431 3.850 1.00 0.00 H ATOM 216 HG SER A 266 6.266 5.704 5.613 1.00 0.00 H ATOM 217 H SER A 266 5.329 4.650 4.186 1.00 0.00 H ATOM 218 N GLY A 267 8.175 3.572 3.526 1.00 16.47 N ATOM 219 CA GLY A 267 9.391 2.770 3.666 1.00 16.84 C ATOM 220 C GLY A 267 9.323 1.841 4.883 1.00 16.45 C ATOM 221 O GLY A 267 8.375 1.858 5.655 1.00 18.16 O ATOM 222 HA3 GLY A 267 10.244 3.439 3.780 1.00 0.00 H ATOM 223 HA2 GLY A 267 9.521 2.166 2.768 1.00 0.00 H ATOM 224 H GLY A 267 7.242 3.133 3.664 1.00 0.00 H ATOM 225 N THR A 268 10.341 1.016 5.004 1.00 16.82 N ATOM 226 CA THR A 268 10.472 0.106 6.136 1.00 17.42 C ATOM 227 C THR A 268 11.188 0.857 7.227 1.00 19.13 C ATOM 228 O THR A 268 12.238 1.457 7.042 1.00 18.40 O ATOM 229 CB THR A 268 11.284 -1.115 5.725 1.00 20.67 C ATOM 230 OG1 THR A 268 10.537 -1.738 4.687 1.00 24.93 O ATOM 231 CG2 THR A 268 11.501 -2.035 6.893 1.00 22.87 C ATOM 232 HA THR A 268 9.495 -0.235 6.478 1.00 0.00 H ATOM 233 HB THR A 268 12.281 -0.844 5.379 1.00 0.00 H ATOM 234 HG1 THR A 268 11.018 -2.545 4.375 1.00 0.00 H ATOM 235 HG23 THR A 268 12.076 -1.516 7.660 1.00 0.00 H ATOM 236 HG21 THR A 268 10.536 -2.336 7.301 1.00 0.00 H ATOM 237 HG22 THR A 268 12.048 -2.918 6.562 1.00 0.00 H ATOM 238 H THR A 268 11.076 1.013 4.268 1.00 0.00 H ATOM 239 N TYR A 269 10.652 0.777 8.425 1.00 16.12 N ATOM 240 CA TYR A 269 11.314 1.267 9.653 1.00 17.04 C ATOM 241 C TYR A 269 11.544 0.132 10.621 1.00 16.37 C ATOM 242 O TYR A 269 11.162 -1.016 10.376 1.00 16.86 O ATOM 243 CB TYR A 269 10.562 2.432 10.301 1.00 17.12 C ATOM 244 CG TYR A 269 9.171 2.199 10.770 1.00 18.56 C ATOM 245 CD1 TYR A 269 8.106 2.272 9.869 1.00 19.70 C ATOM 246 CD2 TYR A 269 8.865 2.004 12.123 1.00 19.66 C ATOM 247 CE1 TYR A 269 6.837 2.170 10.247 1.00 23.45 C ATOM 248 CE2 TYR A 269 7.486 1.899 12.509 1.00 19.99 C ATOM 249 CZ TYR A 269 6.504 2.026 11.543 1.00 20.78 C ATOM 250 OH TYR A 269 5.133 1.949 11.835 1.00 26.42 O ATOM 251 HA TYR A 269 12.286 1.665 9.363 1.00 0.00 H ATOM 252 HB3 TYR A 269 10.525 3.239 9.570 1.00 0.00 H ATOM 253 HB2 TYR A 269 11.145 2.752 11.165 1.00 0.00 H ATOM 254 HD2 TYR A 269 9.658 1.933 12.868 1.00 0.00 H ATOM 255 HE2 TYR A 269 7.216 1.721 13.550 1.00 0.00 H ATOM 256 HE1 TYR A 269 6.050 2.204 9.493 1.00 0.00 H ATOM 257 HD1 TYR A 269 8.326 2.419 8.812 1.00 0.00 H ATOM 258 HH TYR A 269 4.893 2.662 12.478 1.00 0.00 H ATOM 259 H TYR A 269 9.710 0.345 8.514 1.00 0.00 H ATOM 260 N TYR A 270 12.268 0.467 11.678 1.00 15.73 N ATOM 261 CA TYR A 270 12.734 -0.530 12.643 1.00 15.26 C ATOM 262 C TYR A 270 12.140 -0.212 14.000 1.00 15.63 C ATOM 263 O TYR A 270 12.249 0.937 14.449 1.00 17.31 O ATOM 264 CB TYR A 270 14.252 -0.543 12.660 1.00 17.53 C ATOM 265 CG TYR A 270 14.805 -0.903 11.328 1.00 17.91 C ATOM 266 CD1 TYR A 270 15.046 -2.232 10.983 1.00 21.05 C ATOM 267 CD2 TYR A 270 15.005 0.089 10.387 1.00 18.46 C ATOM 268 CE1 TYR A 270 15.512 -2.552 9.713 1.00 19.69 C ATOM 269 CE2 TYR A 270 15.494 -0.224 9.073 1.00 18.90 C ATOM 270 CZ TYR A 270 15.731 -1.549 8.708 1.00 20.09 C ATOM 271 OH TYR A 270 16.139 -1.889 7.454 1.00 26.54 O ATOM 272 HA TYR A 270 12.406 -1.531 12.362 1.00 0.00 H ATOM 273 HB3 TYR A 270 14.593 -1.272 13.395 1.00 0.00 H ATOM 274 HB2 TYR A 270 14.613 0.447 12.938 1.00 0.00 H ATOM 275 HD2 TYR A 270 14.788 1.125 10.646 1.00 0.00 H ATOM 276 HE2 TYR A 270 15.681 0.577 8.358 1.00 0.00 H ATOM 277 HE1 TYR A 270 15.717 -3.595 9.472 1.00 0.00 H ATOM 278 HD1 TYR A 270 14.868 -3.023 11.712 1.00 0.00 H ATOM 279 HH TYR A 270 15.460 -1.595 6.796 1.00 0.00 H ATOM 280 H TYR A 270 12.512 1.467 11.827 1.00 0.00 H ATOM 281 N TRP A 271 11.577 -1.226 14.631 1.00 16.16 N ATOM 282 CA TRP A 271 10.906 -1.076 15.876 1.00 14.33 C ATOM 283 C TRP A 271 11.567 -2.008 16.941 1.00 13.18 C ATOM 284 O TRP A 271 11.661 -3.206 16.702 1.00 15.48 O ATOM 285 CB TRP A 271 9.454 -1.475 15.718 1.00 15.38 C ATOM 286 CG TRP A 271 8.574 -1.487 16.958 1.00 15.69 C ATOM 287 CD1 TRP A 271 8.674 -0.724 18.069 1.00 17.26 C ATOM 288 CD2 TRP A 271 7.459 -2.358 17.159 1.00 15.87 C ATOM 289 NE1 TRP A 271 7.689 -1.068 18.956 1.00 18.02 N ATOM 290 CE2 TRP A 271 6.927 -2.057 18.400 1.00 17.18 C ATOM 291 CE3 TRP A 271 6.864 -3.353 16.371 1.00 17.93 C ATOM 292 CZ2 TRP A 271 5.787 -2.700 18.908 1.00 18.52 C ATOM 293 CZ3 TRP A 271 5.755 -4.029 16.878 1.00 19.25 C ATOM 294 CH2 TRP A 271 5.232 -3.684 18.121 1.00 20.67 C ATOM 295 HA TRP A 271 10.975 -0.037 16.197 1.00 0.00 H ATOM 296 HB2 TRP A 271 9.003 -0.782 15.008 1.00 0.00 H ATOM 297 HB3 TRP A 271 9.439 -2.482 15.300 1.00 0.00 H ATOM 298 HE1 TRP A 271 7.545 -0.647 19.896 1.00 0.00 H ATOM 299 HD1 TRP A 271 9.425 0.048 18.234 1.00 0.00 H ATOM 300 HZ2 TRP A 271 5.363 -2.434 19.876 1.00 0.00 H ATOM 301 HH2 TRP A 271 4.351 -4.212 18.485 1.00 0.00 H ATOM 302 HZ3 TRP A 271 5.296 -4.830 16.299 1.00 0.00 H ATOM 303 HE3 TRP A 271 7.259 -3.593 15.384 1.00 0.00 H ATOM 304 H TRP A 271 11.626 -2.172 14.201 1.00 0.00 H ATOM 305 N HIS A 272 12.013 -1.426 18.043 1.00 16.68 N ATOM 306 CA HIS A 272 12.545 -2.206 19.149 1.00 16.22 C ATOM 307 C HIS A 272 11.383 -2.377 20.151 1.00 14.36 C ATOM 308 O HIS A 272 11.058 -1.441 20.884 1.00 16.32 O ATOM 309 CB HIS A 272 13.700 -1.451 19.788 1.00 16.92 C ATOM 310 CG HIS A 272 14.398 -2.274 20.840 1.00 15.51 C ATOM 311 ND1 HIS A 272 14.366 -1.968 22.217 1.00 17.19 N ATOM 312 CD2 HIS A 272 15.092 -3.425 20.706 1.00 18.83 C ATOM 313 CE1 HIS A 272 15.060 -2.889 22.846 1.00 20.98 C ATOM 314 NE2 HIS A 272 15.487 -3.792 21.959 1.00 17.75 N ATOM 315 HA HIS A 272 12.922 -3.176 18.824 1.00 0.00 H ATOM 316 HB2 HIS A 272 14.419 -1.186 19.013 1.00 0.00 H ATOM 317 HB3 HIS A 272 13.314 -0.542 20.250 1.00 0.00 H ATOM 318 HD2 HIS A 272 15.297 -3.957 19.777 1.00 0.00 H ATOM 319 HE1 HIS A 272 15.256 -2.913 23.918 1.00 0.00 H ATOM 320 H HIS A 272 11.982 -0.389 18.119 1.00 0.00 H ATOM 321 N ILE A 273 10.797 -3.548 20.142 1.00 15.02 N ATOM 322 CA ILE A 273 9.568 -3.778 20.923 1.00 16.20 C ATOM 323 C ILE A 273 9.734 -3.487 22.399 1.00 16.75 C ATOM 324 O ILE A 273 8.868 -2.851 22.995 1.00 17.61 O ATOM 325 CB ILE A 273 9.004 -5.190 20.647 1.00 15.80 C ATOM 326 CG1 ILE A 273 8.706 -5.353 19.120 1.00 18.06 C ATOM 327 CG2 ILE A 273 7.785 -5.486 21.490 1.00 18.23 C ATOM 328 CD1 ILE A 273 9.065 -6.739 18.570 1.00 21.99 C ATOM 329 HA ILE A 273 8.828 -3.054 20.582 1.00 0.00 H ATOM 330 HB ILE A 273 9.759 -5.923 20.933 1.00 0.00 H ATOM 331 HG12 ILE A 273 7.642 -5.181 18.956 1.00 0.00 H ATOM 332 HG13 ILE A 273 9.282 -4.605 18.574 1.00 0.00 H ATOM 333 HD11 ILE A 273 10.130 -6.922 18.716 1.00 0.00 H ATOM 334 HD12 ILE A 273 8.489 -7.499 19.098 1.00 0.00 H ATOM 335 HD13 ILE A 273 8.831 -6.778 17.506 1.00 0.00 H ATOM 336 HG21 ILE A 273 8.051 -5.425 22.545 1.00 0.00 H ATOM 337 HG22 ILE A 273 7.005 -4.757 21.268 1.00 0.00 H ATOM 338 HG23 ILE A 273 7.423 -6.489 21.263 1.00 0.00 H ATOM 339 H ILE A 273 11.202 -4.323 19.579 1.00 0.00 H ATOM 340 N PRO A 274 10.842 -3.940 23.025 1.00 14.94 N ATOM 341 CA PRO A 274 10.916 -3.768 24.495 1.00 16.67 C ATOM 342 C PRO A 274 10.951 -2.345 24.925 1.00 19.48 C ATOM 343 O PRO A 274 10.549 -2.103 26.016 1.00 19.29 O ATOM 344 CB PRO A 274 12.221 -4.487 24.824 1.00 18.68 C ATOM 345 CG PRO A 274 12.328 -5.562 23.813 1.00 16.93 C ATOM 346 CD PRO A 274 11.900 -4.818 22.538 1.00 15.95 C ATOM 347 HA PRO A 274 10.039 -4.159 25.011 1.00 0.00 H ATOM 348 HD3 PRO A 274 12.727 -4.244 22.120 1.00 0.00 H ATOM 349 HD2 PRO A 274 11.523 -5.510 21.785 1.00 0.00 H ATOM 350 HG3 PRO A 274 11.655 -6.390 24.037 1.00 0.00 H ATOM 351 HG2 PRO A 274 13.349 -5.936 23.734 1.00 0.00 H ATOM 352 HB2 PRO A 274 13.066 -3.803 24.748 1.00 0.00 H ATOM 353 HB3 PRO A 274 12.185 -4.907 25.829 1.00 0.00 H ATOM 354 N THR A 275 11.502 -1.417 24.160 1.00 17.56 N ATOM 355 CA THR A 275 11.621 -0.026 24.569 1.00 18.79 C ATOM 356 C THR A 275 10.689 0.910 23.818 1.00 19.38 C ATOM 357 O THR A 275 10.557 2.067 24.181 1.00 21.10 O ATOM 358 CB THR A 275 13.053 0.479 24.369 1.00 19.17 C ATOM 359 OG1 THR A 275 13.375 0.394 22.980 1.00 19.77 O ATOM 360 CG2 THR A 275 14.049 -0.279 25.243 1.00 20.46 C ATOM 361 HA THR A 275 11.342 -0.014 25.623 1.00 0.00 H ATOM 362 HB THR A 275 13.120 1.520 24.685 1.00 0.00 H ATOM 363 HG1 THR A 275 13.304 -0.548 22.683 1.00 0.00 H ATOM 364 HG23 THR A 275 13.759 -0.183 26.289 1.00 0.00 H ATOM 365 HG21 THR A 275 14.051 -1.332 24.960 1.00 0.00 H ATOM 366 HG22 THR A 275 15.046 0.138 25.101 1.00 0.00 H ATOM 367 H THR A 275 11.866 -1.694 23.226 1.00 0.00 H ATOM 368 N GLY A 276 10.034 0.460 22.776 1.00 18.32 N ATOM 369 CA GLY A 276 9.220 1.338 21.931 1.00 19.56 C ATOM 370 C GLY A 276 10.020 2.180 20.960 1.00 21.54 C ATOM 371 O GLY A 276 9.462 3.030 20.234 1.00 22.88 O ATOM 372 HA3 GLY A 276 8.654 2.007 22.579 1.00 0.00 H ATOM 373 HA2 GLY A 276 8.530 0.718 21.359 1.00 0.00 H ATOM 374 H GLY A 276 10.094 -0.551 22.541 1.00 0.00 H ATOM 375 N THR A 277 11.308 2.012 20.866 1.00 19.72 N ATOM 376 CA THR A 277 12.131 2.817 19.984 1.00 19.79 C ATOM 377 C THR A 277 11.748 2.516 18.520 1.00 18.21 C ATOM 378 O THR A 277 11.598 1.367 18.146 1.00 18.11 O ATOM 379 CB THR A 277 13.632 2.504 20.225 1.00 20.60 C ATOM 380 OG1 THR A 277 13.986 2.716 21.588 1.00 23.86 O ATOM 381 CG2 THR A 277 14.634 3.299 19.329 1.00 21.96 C ATOM 382 HA THR A 277 11.963 3.874 20.190 1.00 0.00 H ATOM 383 HB THR A 277 13.726 1.454 19.946 1.00 0.00 H ATOM 384 HG1 THR A 277 13.441 2.124 22.165 1.00 0.00 H ATOM 385 HG23 THR A 277 14.379 3.149 18.280 1.00 0.00 H ATOM 386 HG21 THR A 277 14.573 4.360 19.571 1.00 0.00 H ATOM 387 HG22 THR A 277 15.647 2.941 19.513 1.00 0.00 H ATOM 388 H THR A 277 11.762 1.275 21.443 1.00 0.00 H ATOM 389 N THR A 278 11.646 3.595 17.710 1.00 18.32 N ATOM 390 CA THR A 278 11.471 3.419 16.252 1.00 17.35 C ATOM 391 C THR A 278 12.461 4.308 15.552 1.00 18.80 C ATOM 392 O THR A 278 12.755 5.401 16.030 1.00 20.53 O ATOM 393 CB THR A 278 10.044 3.721 15.801 1.00 18.59 C ATOM 394 OG1 THR A 278 9.747 5.094 16.125 1.00 19.80 O ATOM 395 CG2 THR A 278 9.002 2.780 16.387 1.00 20.18 C ATOM 396 HA THR A 278 11.652 2.376 15.994 1.00 0.00 H ATOM 397 HB THR A 278 9.992 3.559 14.724 1.00 0.00 H ATOM 398 HG1 THR A 278 8.824 5.307 15.839 1.00 0.00 H ATOM 399 HG23 THR A 278 9.254 1.752 16.125 1.00 0.00 H ATOM 400 HG21 THR A 278 8.987 2.887 17.472 1.00 0.00 H ATOM 401 HG22 THR A 278 8.021 3.029 15.983 1.00 0.00 H ATOM 402 H THR A 278 11.691 4.552 18.114 1.00 0.00 H ATOM 403 N GLN A 279 13.008 3.821 14.463 1.00 17.75 N ATOM 404 CA GLN A 279 14.007 4.563 13.693 1.00 17.91 C ATOM 405 C GLN A 279 14.033 4.076 12.266 1.00 17.80 C ATOM 406 O GLN A 279 13.637 2.962 11.968 1.00 18.43 O ATOM 407 CB GLN A 279 15.386 4.401 14.332 1.00 19.04 C ATOM 408 CG GLN A 279 15.918 2.989 14.372 1.00 19.27 C ATOM 409 CD GLN A 279 17.118 2.840 15.222 1.00 20.22 C ATOM 410 OE1 GLN A 279 17.139 3.256 16.404 1.00 23.39 O ATOM 411 NE2 GLN A 279 18.134 2.215 14.656 1.00 23.45 N ATOM 412 HA GLN A 279 13.740 5.620 13.695 1.00 0.00 H ATOM 413 HB2 GLN A 279 16.092 5.011 13.769 1.00 0.00 H ATOM 414 HB3 GLN A 279 15.328 4.768 15.357 1.00 0.00 H ATOM 415 HG2 GLN A 279 15.136 2.335 14.759 1.00 0.00 H ATOM 416 HG3 GLN A 279 16.173 2.686 13.356 1.00 0.00 H ATOM 417 HE22 GLN A 279 18.061 1.891 13.670 1.00 0.00 H ATOM 418 HE21 GLN A 279 19.007 2.047 15.196 1.00 0.00 H ATOM 419 H GLN A 279 12.722 2.876 14.136 1.00 0.00 H ATOM 420 N TRP A 280 14.586 4.882 11.381 1.00 18.38 N ATOM 421 CA TRP A 280 14.731 4.527 9.961 1.00 18.13 C ATOM 422 C TRP A 280 16.013 3.784 9.639 1.00 18.74 C ATOM 423 O TRP A 280 16.087 3.127 8.621 1.00 20.10 O ATOM 424 CB TRP A 280 14.610 5.813 9.066 1.00 18.61 C ATOM 425 CG TRP A 280 13.261 6.378 9.081 1.00 19.21 C ATOM 426 CD1 TRP A 280 12.861 7.574 9.700 1.00 20.60 C ATOM 427 CD2 TRP A 280 12.096 5.844 8.464 1.00 19.30 C ATOM 428 NE1 TRP A 280 11.540 7.759 9.502 1.00 20.60 N ATOM 429 CE2 TRP A 280 11.032 6.734 8.750 1.00 19.46 C ATOM 430 CE3 TRP A 280 11.839 4.708 7.670 1.00 18.99 C ATOM 431 CZ2 TRP A 280 9.754 6.520 8.298 1.00 20.34 C ATOM 432 CZ3 TRP A 280 10.564 4.533 7.205 1.00 19.25 C ATOM 433 CH2 TRP A 280 9.555 5.424 7.540 1.00 19.80 C ATOM 434 HA TRP A 280 13.918 3.836 9.738 1.00 0.00 H ATOM 435 HB2 TRP A 280 15.308 6.564 9.435 1.00 0.00 H ATOM 436 HB3 TRP A 280 14.869 5.551 8.040 1.00 0.00 H ATOM 437 HE1 TRP A 280 10.989 8.562 9.867 1.00 0.00 H ATOM 438 HD1 TRP A 280 13.516 8.247 10.254 1.00 0.00 H ATOM 439 HZ2 TRP A 280 8.940 7.203 8.540 1.00 0.00 H ATOM 440 HH2 TRP A 280 8.549 5.227 7.171 1.00 0.00 H ATOM 441 HZ3 TRP A 280 10.338 3.682 6.563 1.00 0.00 H ATOM 442 HE3 TRP A 280 12.628 3.994 7.435 1.00 0.00 H ATOM 443 H TRP A 280 14.935 5.808 11.701 1.00 0.00 H ATOM 444 N GLU A 281 17.051 3.902 10.472 1.00 20.73 N ATOM 445 CA GLU A 281 18.320 3.281 10.201 1.00 22.63 C ATOM 446 C GLU A 281 18.291 1.868 10.747 1.00 23.51 C ATOM 447 O GLU A 281 17.784 1.641 11.846 1.00 21.26 O ATOM 448 CB GLU A 281 19.440 4.064 10.922 1.00 25.46 C ATOM 449 CG GLU A 281 19.457 5.565 10.563 1.00 28.24 C ATOM 450 CD GLU A 281 18.453 6.419 11.398 1.00 32.16 C ATOM 451 OE1 GLU A 281 18.023 5.934 12.478 1.00 31.91 O ATOM 452 OE2 GLU A 281 18.092 7.568 10.985 1.00 37.74 O ATOM 453 HA GLU A 281 18.507 3.275 9.127 1.00 0.00 H ATOM 454 HB2 GLU A 281 19.295 3.966 11.998 1.00 0.00 H ATOM 455 HB3 GLU A 281 20.401 3.630 10.645 1.00 0.00 H ATOM 456 HG2 GLU A 281 20.462 5.949 10.735 1.00 0.00 H ATOM 457 HG3 GLU A 281 19.205 5.670 9.508 1.00 0.00 H ATOM 458 H GLU A 281 16.938 4.460 11.343 1.00 0.00 H ATOM 459 N PRO A 282 18.820 0.903 10.010 1.00 23.43 N ATOM 460 CA PRO A 282 18.926 -0.438 10.543 1.00 25.75 C ATOM 461 C PRO A 282 19.718 -0.438 11.837 1.00 26.77 C ATOM 462 O PRO A 282 20.766 0.188 11.937 1.00 27.57 O ATOM 463 CB PRO A 282 19.667 -1.202 9.429 1.00 27.51 C ATOM 464 CG PRO A 282 19.368 -0.465 8.211 1.00 28.87 C ATOM 465 CD PRO A 282 19.340 0.972 8.623 1.00 25.58 C ATOM 466 HA PRO A 282 17.963 -0.884 10.790 1.00 0.00 H ATOM 467 HD3 PRO A 282 20.339 1.408 8.598 1.00 0.00 H ATOM 468 HD2 PRO A 282 18.676 1.552 7.982 1.00 0.00 H ATOM 469 HG3 PRO A 282 18.401 -0.767 7.808 1.00 0.00 H ATOM 470 HG2 PRO A 282 20.141 -0.634 7.462 1.00 0.00 H ATOM 471 HB2 PRO A 282 20.740 -1.212 9.618 1.00 0.00 H ATOM 472 HB3 PRO A 282 19.302 -2.227 9.358 1.00 0.00 H ATOM 473 N PRO A 283 19.271 -1.194 12.838 1.00 27.03 N ATOM 474 CA PRO A 283 19.979 -1.295 14.096 1.00 27.95 C ATOM 475 C PRO A 283 21.289 -2.082 13.986 1.00 32.74 C ATOM 476 O PRO A 283 21.372 -2.975 13.167 1.00 34.86 O ATOM 477 CB PRO A 283 18.945 -1.993 15.015 1.00 27.95 C ATOM 478 CG PRO A 283 18.107 -2.754 14.123 1.00 28.33 C ATOM 479 CD PRO A 283 18.020 -1.977 12.846 1.00 26.55 C ATOM 480 HA PRO A 283 20.306 -0.326 14.473 1.00 0.00 H ATOM 481 HD3 PRO A 283 17.971 -2.644 11.985 1.00 0.00 H ATOM 482 HD2 PRO A 283 17.149 -1.322 12.846 1.00 0.00 H ATOM 483 HG3 PRO A 283 17.114 -2.879 14.555 1.00 0.00 H ATOM 484 HG2 PRO A 283 18.547 -3.734 13.938 1.00 0.00 H ATOM 485 HB2 PRO A 283 19.446 -2.651 15.725 1.00 0.00 H ATOM 486 HB3 PRO A 283 18.355 -1.255 15.559 1.00 0.00 H ATOM 487 N GLY A 284 22.287 -1.752 14.789 1.00 34.84 N ATOM 488 CA GLY A 284 22.214 -0.705 15.802 1.00 36.99 C ATOM 489 C GLY A 284 21.859 -1.144 17.221 1.00 38.13 C ATOM 490 O GLY A 284 21.391 -0.307 17.992 1.00 39.42 O ATOM 491 HA3 GLY A 284 21.460 0.014 15.480 1.00 0.00 H ATOM 492 HA2 GLY A 284 23.187 -0.216 15.842 1.00 0.00 H ATOM 493 H GLY A 284 23.182 -2.273 14.692 1.00 0.00 H ATOM 494 N ARG A 285 22.078 -2.419 17.589 1.00 39.01 N ATOM 495 CA ARG A 285 21.932 -2.828 19.008 1.00 39.32 C ATOM 496 C ARG A 285 23.233 -3.282 19.722 1.00 40.28 C ATOM 497 O ARG A 285 23.864 -2.456 20.382 1.00 40.90 O ATOM 498 CB ARG A 285 20.759 -3.826 19.210 1.00 40.27 C ATOM 499 CG ARG A 285 19.907 -3.569 20.457 1.00 37.43 C ATOM 500 CD ARG A 285 19.717 -2.072 20.674 1.00 43.57 C ATOM 501 NE ARG A 285 18.493 -1.627 21.312 1.00 35.10 N ATOM 502 CZ ARG A 285 18.173 -0.340 21.440 1.00 39.55 C ATOM 503 NH1 ARG A 285 18.997 0.607 20.994 1.00 38.55 N ATOM 504 NH2 ARG A 285 17.038 0.015 22.006 1.00 38.54 N ATOM 505 HA ARG A 285 21.677 -1.901 19.522 1.00 0.00 H ATOM 506 HB2 ARG A 285 20.109 -3.768 18.337 1.00 0.00 H ATOM 507 HB3 ARG A 285 21.176 -4.830 19.285 1.00 0.00 H ATOM 508 HG2 ARG A 285 18.932 -4.040 20.329 1.00 0.00 H ATOM 509 HG3 ARG A 285 20.405 -3.998 21.327 1.00 0.00 H ATOM 510 HD2 ARG A 285 19.766 -1.594 19.696 1.00 0.00 H ATOM 511 HD3 ARG A 285 20.548 -1.725 21.288 1.00 0.00 H ATOM 512 HE ARG A 285 17.837 -2.343 21.685 1.00 0.00 H ATOM 513 HH12 ARG A 285 18.741 1.610 21.097 1.00 0.00 H ATOM 514 HH11 ARG A 285 19.896 0.344 20.543 1.00 0.00 H ATOM 515 HH22 ARG A 285 16.797 1.022 22.101 1.00 0.00 H ATOM 516 HH21 ARG A 285 16.383 -0.712 22.358 1.00 0.00 H ATOM 517 H ARG A 285 22.352 -3.123 16.874 1.00 0.00 H ATOM 518 N ALA A 286 23.634 -4.555 19.642 1.00 40.75 N ATOM 519 CA ALA A 286 22.909 -5.612 18.956 1.00 40.98 C ATOM 520 C ALA A 286 22.710 -6.818 19.880 1.00 41.20 C ATOM 521 O ALA A 286 21.996 -6.719 20.885 1.00 40.81 O ATOM 522 CB ALA A 286 23.663 -6.034 17.694 1.00 41.10 C ATOM 523 HA ALA A 286 21.929 -5.230 18.672 1.00 0.00 H ATOM 524 HB1 ALA A 286 23.762 -5.177 17.028 1.00 0.00 H ATOM 525 HB2 ALA A 286 24.653 -6.399 17.969 1.00 0.00 H ATOM 526 HB3 ALA A 286 23.110 -6.826 17.189 1.00 0.00 H ATOM 527 H ALA A 286 24.531 -4.808 20.105 1.00 0.00 H ATOM 528 N SER A 287 23.314 -7.959 19.537 1.00 41.38 N ATOM 529 CA SER A 287 24.125 -8.101 18.325 1.00 41.73 C ATOM 530 C SER A 287 23.357 -8.855 17.243 1.00 41.83 C ATOM 531 O SER A 287 22.806 -9.930 17.491 1.00 41.64 O ATOM 532 CB SER A 287 25.444 -8.830 18.636 1.00 41.83 C ATOM 533 OG SER A 287 25.255 -10.233 18.772 1.00 42.01 O ATOM 534 HA SER A 287 24.354 -7.101 17.957 1.00 0.00 H ATOM 535 HB2 SER A 287 25.853 -8.437 19.567 1.00 0.00 H ATOM 536 HB3 SER A 287 26.148 -8.646 17.825 1.00 0.00 H ATOM 537 HG SER A 287 24.889 -10.599 17.928 1.00 0.00 H ATOM 538 H SER A 287 23.203 -8.785 20.159 1.00 0.00 H ATOM 539 N PRO A 288 23.343 -8.296 16.025 1.00 42.06 N ATOM 540 CA PRO A 288 22.495 -8.721 14.924 1.00 42.16 C ATOM 541 C PRO A 288 22.152 -10.208 14.955 1.00 42.34 C ATOM 542 O PRO A 288 21.348 -10.658 14.140 1.00 42.46 O ATOM 543 CB PRO A 288 23.333 -8.374 13.698 1.00 42.50 C ATOM 544 CG PRO A 288 24.172 -7.190 14.133 1.00 42.65 C ATOM 545 CD PRO A 288 24.211 -7.168 15.640 1.00 42.09 C ATOM 546 HA PRO A 288 21.520 -8.234 14.952 1.00 0.00 H ATOM 547 HD3 PRO A 288 25.227 -7.316 16.006 1.00 0.00 H ATOM 548 HD2 PRO A 288 23.821 -6.226 16.026 1.00 0.00 H ATOM 549 HG3 PRO A 288 23.728 -6.266 13.762 1.00 0.00 H ATOM 550 HG2 PRO A 288 25.183 -7.289 13.739 1.00 0.00 H ATOM 551 HB2 PRO A 288 23.968 -9.213 13.415 1.00 0.00 H ATOM 552 HB3 PRO A 288 22.693 -8.105 12.858 1.00 0.00 H TER 553 PRO A 288 HETATM 554 O HOH 1 9.870 7.789 1.871 1.00 17.03 O HETATM 555 O HOH 2 17.239 -5.885 22.517 1.00 20.68 O HETATM 556 O HOH 3 14.741 2.330 6.314 1.00 20.64 O HETATM 557 O HOH 4 6.210 8.329 7.085 1.00 21.97 O HETATM 558 O HOH 5 16.208 0.140 5.710 1.00 23.75 O HETATM 559 O HOH 6 14.963 -9.577 15.723 1.00 22.47 O HETATM 560 O HOH 7 15.451 7.490 12.222 1.00 25.01 O HETATM 561 O HOH 8 7.561 5.207 -0.680 1.00 21.27 O HETATM 562 O HOH 9 3.490 7.413 6.424 1.00 23.65 O HETATM 563 O HOH 10 13.241 -8.559 8.922 1.00 25.76 O HETATM 564 O HOH 11 11.900 6.160 19.265 1.00 34.59 O HETATM 565 O HOH 12 7.894 7.923 0.001 1.00 19.40 O HETATM 566 O HOH 13 20.567 -10.640 19.027 1.00 33.66 O HETATM 567 O HOH 14 18.881 2.679 18.353 1.00 38.77 O HETATM 568 O HOH 15 16.889 5.658 17.579 1.00 37.02 O HETATM 569 O HOH 16 19.192 -8.346 21.712 1.00 31.26 O HETATM 570 O HOH 17 14.560 7.024 16.949 1.00 36.12 O HETATM 571 O HOH 18 10.947 7.603 17.051 1.00 36.17 O HETATM 572 O HOH 19 2.914 1.565 8.868 1.00 38.36 O HETATM 573 O HOH 20 20.798 7.015 7.176 1.00 38.70 O HETATM 574 O HOH 21 2.582 1.608 11.352 1.00 42.21 O HETATM 575 O HOH 22 19.075 -3.863 23.178 1.00 34.54 O HETATM 576 O HOH 23 20.426 -4.554 11.250 1.00 43.30 O HETATM 577 O HOH 24 1.444 3.567 5.460 1.00 36.32 O HETATM 578 O HOH 25 10.377 4.854 23.421 1.00 47.97 O HETATM 579 O HOH 26 20.835 2.507 15.955 1.00 47.31 O HETATM 580 O HOH 27 3.323 0.100 1.011 1.00 52.51 O HETATM 581 O HOH 28 21.281 -9.351 21.214 1.00 70.62 O HETATM 582 O HOH 29 4.043 -1.647 22.123 1.00 44.27 O HETATM 583 O HOH 30 5.962 0.019 21.126 1.00 34.63 O HETATM 584 O HOH 31 2.508 -0.851 11.357 1.00 80.83 O HETATM 585 O HOH 32 6.380 -2.139 23.221 1.00 38.62 O HETATM 586 O HOH 33 14.291 -3.470 4.682 1.00 42.96 O HETATM 587 O HOH 34 7.122 10.085 8.895 1.00 23.26 O HETATM 588 O HOH 35 7.190 5.848 16.005 1.00 29.53 O HETATM 589 O HOH 36 5.753 9.768 14.296 1.00 34.10 O HETATM 590 N PRO A 37 1.836 -1.926 15.278 1.00 0.25 N HETATM 591 CA PRO A 37 3.059 -1.280 15.683 1.00 0.07 C HETATM 592 C PRO A 37 2.895 0.234 15.852 1.00 0.25 C HETATM 593 O PRO A 37 1.864 0.775 15.450 1.00 -0.38 O HETATM 594 N PRO A 37 3.882 0.908 16.452 1.00 -0.21 N HETATM 595 CA PRO A 37 3.775 2.359 16.530 1.00 0.16 C HETATM 596 C PRO A 37 3.896 2.950 15.127 1.00 0.21 C HETATM 597 O PRO A 37 4.319 2.269 14.183 1.00 -0.39 O HETATM 598 N PRO A 37 3.536 4.222 14.980 1.00 -0.25 N HETATM 599 CA PRO A 37 3.596 4.845 13.659 1.00 0.13 C HETATM 600 C PRO A 37 5.008 5.032 13.152 1.00 0.21 C HETATM 601 O PRO A 37 6.001 4.965 13.921 1.00 -0.39 O HETATM 602 N PRO A 37 5.139 5.322 11.842 1.00 -0.23 N HETATM 603 CA PRO A 37 6.466 5.588 11.341 1.00 0.15 C HETATM 604 C PRO A 37 7.093 6.780 12.040 1.00 0.21 C HETATM 605 O PRO A 37 6.405 7.769 12.312 1.00 -0.39 O HETATM 606 N PRO A 37 8.395 6.695 12.338 1.00 -0.25 N HETATM 607 CA PRO A 37 9.034 7.816 12.992 1.00 0.13 C HETATM 608 C PRO A 37 9.294 8.999 12.033 1.00 0.21 C HETATM 609 O PRO A 37 9.210 8.864 10.807 1.00 -0.39 O HETATM 610 N PRO A 37 9.543 10.161 12.573 1.00 -0.25 N HETATM 611 CA PRO A 37 9.905 11.306 11.698 1.00 0.13 C HETATM 612 C PRO A 37 11.306 11.072 11.158 1.00 0.20 C HETATM 613 O PRO A 37 12.096 10.283 11.742 1.00 -0.39 O HETATM 614 N PRO A 37 11.637 11.802 10.106 1.00 -0.26 N HETATM 615 CA PRO A 37 12.971 11.763 9.584 1.00 0.13 C HETATM 616 C PRO A 37 13.829 12.590 10.430 1.00 0.21 C HETATM 617 O PRO A 37 13.420 13.684 10.866 1.00 -0.39 O HETATM 618 N PRO A 37 15.060 12.107 10.708 1.00 -0.25 N HETATM 619 CA PRO A 37 15.952 12.885 11.539 1.00 0.13 C HETATM 620 C PRO A 37 16.417 14.085 10.751 1.00 0.21 C HETATM 621 O PRO A 37 16.310 14.071 9.514 1.00 -0.39 O HETATM 622 N PRO A 37 16.957 15.112 11.447 1.00 -0.26 N HETATM 623 CA PRO A 37 17.415 16.362 10.829 1.00 0.10 C HETATM 624 C PRO A 37 18.404 16.161 9.670 1.00 0.06 C HETATM 625 O PRO A 37 18.382 16.929 8.706 1.00 -0.57 O HETATM 626 O1 PRO A 37 19.235 15.214 9.705 1.00 -0.57 O HETATM 627 CB PRO A 37 18.096 17.115 11.990 1.00 -0.02 C HETATM 628 CG PRO A 37 18.217 16.137 13.109 1.00 -0.03 C HETATM 629 CD PRO A 37 17.129 15.133 12.907 1.00 0.04 C HETATM 630 H65 PRO A 37 17.430 14.144 13.283 1.00 0.05 H HETATM 631 H66 PRO A 37 16.203 15.449 13.409 1.00 0.05 H HETATM 632 H63 PRO A 37 18.091 16.646 14.076 1.00 0.03 H HETATM 633 H64 PRO A 37 19.200 15.644 13.080 1.00 0.03 H HETATM 634 H61 PRO A 37 17.482 17.974 12.299 1.00 0.03 H HETATM 635 H62 PRO A 37 19.092 17.468 11.683 1.00 0.03 H HETATM 636 H59 PRO A 37 16.551 16.930 10.455 1.00 0.07 H HETATM 637 CB PRO A 37 17.133 11.953 11.790 1.00 -0.01 C HETATM 638 CG PRO A 37 17.051 10.913 10.736 1.00 -0.03 C HETATM 639 CD PRO A 37 15.634 10.802 10.315 1.00 0.04 C HETATM 640 H57 PRO A 37 15.556 10.648 9.229 1.00 0.05 H HETATM 641 H58 PRO A 37 15.131 9.976 10.839 1.00 0.05 H HETATM 642 H55 PRO A 37 17.399 9.949 11.134 1.00 0.03 H HETATM 643 H56 PRO A 37 17.675 11.201 9.877 1.00 0.03 H HETATM 644 H53 PRO A 37 17.056 11.496 12.787 1.00 0.03 H HETATM 645 H54 PRO A 37 18.081 12.505 11.712 1.00 0.03 H HETATM 646 H52 PRO A 37 15.472 13.196 12.479 1.00 0.08 H HETATM 647 CB PRO A 37 13.073 12.323 8.180 1.00 -0.01 C HETATM 648 CG PRO A 37 12.463 11.524 7.068 1.00 -0.04 C HETATM 649 CD1 PRO A 37 12.594 12.344 5.758 1.00 -0.06 C HETATM 650 H46 PRO A 37 12.152 11.777 4.925 1.00 0.02 H HETATM 651 H47 PRO A 37 13.657 12.534 5.549 1.00 0.02 H HETATM 652 H48 PRO A 37 12.065 13.302 5.871 1.00 0.02 H HETATM 653 CD2 PRO A 37 13.121 10.134 6.841 1.00 -0.06 C HETATM 654 H49 PRO A 37 13.039 9.535 7.760 1.00 0.02 H HETATM 655 H50 PRO A 37 14.182 10.268 6.584 1.00 0.02 H HETATM 656 H51 PRO A 37 12.607 9.615 6.018 1.00 0.02 H HETATM 657 H45 PRO A 37 11.399 11.368 7.299 1.00 0.03 H HETATM 658 H43 PRO A 37 14.142 12.443 7.951 1.00 0.03 H HETATM 659 H44 PRO A 37 12.585 13.309 8.183 1.00 0.03 H HETATM 660 H42 PRO A 37 13.325 10.722 9.587 1.00 0.08 H HETATM 661 H41 PRO A 37 10.951 12.386 9.671 1.00 0.19 H HETATM 662 CB PRO A 37 10.017 12.459 12.674 1.00 -0.01 C HETATM 663 CG PRO A 37 10.330 11.753 13.990 1.00 -0.03 C HETATM 664 CD PRO A 37 9.552 10.517 14.003 1.00 0.04 C HETATM 665 H39 PRO A 37 10.042 9.740 14.608 1.00 0.05 H HETATM 666 H40 PRO A 37 8.533 10.687 14.381 1.00 0.05 H HETATM 667 H37 PRO A 37 10.042 12.390 14.839 1.00 0.03 H HETATM 668 H38 PRO A 37 11.404 11.524 14.051 1.00 0.03 H HETATM 669 H35 PRO A 37 9.072 13.018 12.738 1.00 0.03 H HETATM 670 H36 PRO A 37 10.829 13.144 12.388 1.00 0.03 H HETATM 671 H34 PRO A 37 9.172 11.482 10.896 1.00 0.08 H HETATM 672 CB PRO A 37 10.405 7.235 13.395 1.00 -0.01 C HETATM 673 CG PRO A 37 10.639 6.107 12.476 1.00 -0.03 C HETATM 674 CD PRO A 37 9.330 5.592 12.074 1.00 0.04 C HETATM 675 H32 PRO A 37 9.328 5.330 11.006 1.00 0.05 H HETATM 676 H33 PRO A 37 9.063 4.707 12.669 1.00 0.05 H HETATM 677 H30 PRO A 37 11.213 5.319 12.986 1.00 0.03 H HETATM 678 H31 PRO A 37 11.195 6.452 11.592 1.00 0.03 H HETATM 679 H28 PRO A 37 10.383 6.884 14.437 1.00 0.03 H HETATM 680 H29 PRO A 37 11.193 7.994 13.281 1.00 0.03 H HETATM 681 H27 PRO A 37 8.452 8.153 13.862 1.00 0.08 H HETATM 682 CB PRO A 37 6.245 5.809 9.836 1.00 -0.05 C HETATM 683 CG PRO A 37 4.846 5.990 9.683 1.00 -0.07 C HETATM 684 CD PRO A 37 4.108 5.412 10.791 1.00 0.06 C HETATM 685 H25 PRO A 37 3.279 6.065 11.101 1.00 0.07 H HETATM 686 H26 PRO A 37 3.715 4.418 10.532 1.00 0.07 H HETATM 687 H24 PRO A 37 4.383 6.499 8.839 1.00 0.05 H HETATM 688 H23 PRO A 37 7.002 5.824 9.053 1.00 0.05 H HETATM 689 H22 PRO A 37 7.115 4.714 11.499 1.00 0.09 H HETATM 690 CB PRO A 37 2.972 6.210 13.904 1.00 -0.01 C HETATM 691 CG PRO A 37 3.206 6.496 15.338 1.00 -0.03 C HETATM 692 CD PRO A 37 3.126 5.166 16.028 1.00 0.04 C HETATM 693 H20 PRO A 37 3.812 5.125 16.887 1.00 0.05 H HETATM 694 H21 PRO A 37 2.100 4.958 16.367 1.00 0.05 H HETATM 695 H18 PRO A 37 2.434 7.178 15.725 1.00 0.03 H HETATM 696 H19 PRO A 37 4.199 6.946 15.484 1.00 0.03 H HETATM 697 H16 PRO A 37 1.894 6.185 13.687 1.00 0.03 H HETATM 698 H17 PRO A 37 3.455 6.973 13.275 1.00 0.03 H HETATM 699 H15 PRO A 37 3.018 4.261 12.927 1.00 0.08 H HETATM 700 CB PRO A 37 4.975 2.770 17.383 1.00 -0.00 C HETATM 701 CG PRO A 37 5.664 1.440 17.781 1.00 -0.09 C HETATM 702 CD PRO A 37 5.155 0.395 16.995 1.00 0.02 C HETATM 703 H14 PRO A 37 5.602 -0.583 16.823 1.00 0.08 H HETATM 704 H13 PRO A 37 6.426 1.333 18.552 1.00 0.02 H HETATM 705 H11 PRO A 37 4.643 3.316 18.279 1.00 0.04 H HETATM 706 H12 PRO A 37 5.663 3.402 16.802 1.00 0.04 H HETATM 707 H10 PRO A 37 2.828 2.670 16.995 1.00 0.09 H HETATM 708 CB PRO A 37 4.005 -1.545 14.503 1.00 0.01 C HETATM 709 CG PRO A 37 3.520 -2.743 13.883 1.00 -0.01 C HETATM 710 CD PRO A 37 2.055 -2.890 14.186 1.00 -0.03 C HETATM 711 H8 PRO A 37 1.444 -2.636 13.308 1.00 0.08 H HETATM 712 H9 PRO A 37 1.821 -3.914 14.512 1.00 0.08 H HETATM 713 H6 PRO A 37 4.068 -3.611 14.278 1.00 0.03 H HETATM 714 H7 PRO A 37 3.667 -2.681 12.795 1.00 0.03 H HETATM 715 H4 PRO A 37 5.035 -1.688 14.861 1.00 0.03 H HETATM 716 H5 PRO A 37 3.977 -0.706 13.792 1.00 0.03 H HETATM 717 H3 PRO A 37 3.442 -1.719 16.616 1.00 0.11 H HETATM 718 H1 PRO A 37 1.185 -1.223 14.965 1.00 0.20 H HETATM 719 H2 PRO A 37 1.448 -2.414 16.070 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 590 591 710 718 719 CONECT 591 590 592 708 717 CONECT 592 591 593 594 CONECT 593 592 CONECT 594 592 595 702 CONECT 595 594 596 700 707 CONECT 596 595 597 598 CONECT 597 596 CONECT 598 596 599 692 CONECT 599 598 600 690 699 CONECT 600 599 601 602 CONECT 601 600 CONECT 602 600 603 684 CONECT 603 602 604 682 689 CONECT 604 603 605 606 CONECT 605 604 CONECT 606 604 607 674 CONECT 607 606 608 672 681 CONECT 608 607 609 610 CONECT 609 608 CONECT 610 608 611 664 CONECT 611 610 612 662 671 CONECT 612 611 613 614 CONECT 613 612 CONECT 614 612 615 661 CONECT 615 614 616 647 660 CONECT 616 615 617 618 CONECT 617 616 CONECT 618 616 619 639 CONECT 619 618 620 637 646 CONECT 620 619 621 622 CONECT 621 620 CONECT 622 620 623 629 CONECT 623 622 624 627 636 CONECT 624 623 625 626 CONECT 625 624 CONECT 626 624 CONECT 627 623 628 634 635 CONECT 628 627 629 632 633 CONECT 629 622 628 630 631 CONECT 630 629 CONECT 631 629 CONECT 632 628 CONECT 633 628 CONECT 634 627 CONECT 635 627 CONECT 636 623 CONECT 637 619 638 644 645 CONECT 638 637 639 642 643 CONECT 639 618 638 640 641 CONECT 640 639 CONECT 641 639 CONECT 642 638 CONECT 643 638 CONECT 644 637 CONECT 645 637 CONECT 646 619 CONECT 647 615 648 658 659 CONECT 648 647 649 653 657 CONECT 649 648 650 651 652 CONECT 650 649 CONECT 651 649 CONECT 652 649 CONECT 653 648 654 655 656 CONECT 654 653 CONECT 655 653 CONECT 656 653 CONECT 657 648 CONECT 658 647 CONECT 659 647 CONECT 660 615 CONECT 661 614 CONECT 662 611 663 669 670 CONECT 663 662 664 667 668 CONECT 664 610 663 665 666 CONECT 665 664 CONECT 666 664 CONECT 667 663 CONECT 668 663 CONECT 669 662 CONECT 670 662 CONECT 671 611 CONECT 672 607 673 679 680 CONECT 673 672 674 677 678 CONECT 674 606 673 675 676 CONECT 675 674 CONECT 676 674 CONECT 677 673 CONECT 678 673 CONECT 679 672 CONECT 680 672 CONECT 681 607 CONECT 682 603 683 688 CONECT 683 682 684 687 CONECT 684 602 683 685 686 CONECT 685 684 CONECT 686 684 CONECT 687 683 CONECT 688 682 CONECT 689 603 CONECT 690 599 691 697 698 CONECT 691 690 692 695 696 CONECT 692 598 691 693 694 CONECT 693 692 CONECT 694 692 CONECT 695 691 CONECT 696 691 CONECT 697 690 CONECT 698 690 CONECT 699 599 CONECT 700 595 701 705 706 CONECT 701 700 702 704 CONECT 702 594 701 703 CONECT 703 702 CONECT 704 701 CONECT 705 700 CONECT 706 700 CONECT 707 595 CONECT 708 591 709 715 716 CONECT 709 708 710 713 714 CONECT 710 590 709 711 712 CONECT 711 710 CONECT 712 710 CONECT 713 709 CONECT 714 709 CONECT 715 708 CONECT 716 708 CONECT 717 591 CONECT 718 590 CONECT 719 590 MASTER 0 0 0 0 0 0 0 0 718 1 134 3 END
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3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
2oei
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Amyloid beta A4 protein-binding family B member 1
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Kd=124uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. 372: 970-980
Ligand Properties
Formula
C
4
6
H
6
6
N
9
O
1
0
Molecular Weight
905.071
Exact Mass
904.493
No. of atoms
131
No. of bonds
138
Polar Surface Area
225.18
LOGP Value
-0.17 (
Computed with XLOGP3
)
0.69 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 8
Canonical SMILES
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1C=CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC=CN1C(=O)[C@@H]1CCC[NH2+]1)C
InChI String
InChI=1S/C46H65N9O10/c1-28(2)27-30(40(58)51-22-6-14-33(51)45(63)55-26-10-18-37(55)46(64)65)48-38(56)31-12-4-20-49(31)41(59)34-15-7-23-52(34)43(61)36-17-9-25-54(36)44(62)35-16-8-24-53(35)42(60)32-13-5-21-50(32)39(57)29-11-3-19-47-29/h5,9,17,21,28-37,47H,3-4,6-8,10-16,18-20,22-27H2,1-2H3,(H,48,56)(H,64,65)/p+1/t29-,30-,31-,32-,33-,34-,35-,36-,37-/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):
O00213
Entrez Gene ID
NCBI Entrez Gene ID:
322
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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