Browse entries in the PDBbind-CN Database
HEADER 2JO9_COMPLEX COMPND 2JO9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 31 PRO LEU PRO PRO GLY TRP GLU LYS ARG THR ASP SER ASN SEQRES 2 A 31 GLY ARG VAL TYR PHE VAL ASN HIS ASN THR ARG ILE THR SEQRES 3 A 31 GLN TRP GLU ASP PRO HET GLU A 32 137 ATOM 1 N PRO A 5 1.366 -10.674 -3.826 1.00 0.00 N ATOM 2 CA PRO A 5 0.208 -10.277 -4.626 1.00 0.00 C ATOM 3 C PRO A 5 -0.952 -9.839 -3.740 1.00 0.00 C ATOM 4 O PRO A 5 -1.365 -10.576 -2.847 1.00 0.00 O ATOM 5 CB PRO A 5 -0.165 -11.555 -5.399 1.00 0.00 C ATOM 6 CG PRO A 5 0.885 -12.568 -5.063 1.00 0.00 C ATOM 7 CD PRO A 5 1.497 -12.131 -3.763 1.00 0.00 C ATOM 8 HA PRO A 5 0.428 -9.431 -5.277 1.00 0.00 H ATOM 9 HD3 PRO A 5 0.951 -12.540 -2.913 1.00 0.00 H ATOM 10 HD2 PRO A 5 2.543 -12.431 -3.699 1.00 0.00 H ATOM 11 HG3 PRO A 5 1.643 -12.599 -5.845 1.00 0.00 H ATOM 12 HG2 PRO A 5 0.436 -13.555 -4.955 1.00 0.00 H ATOM 13 HB2 PRO A 5 -1.147 -11.911 -5.089 1.00 0.00 H ATOM 14 HB3 PRO A 5 -0.173 -11.360 -6.471 1.00 0.00 H ATOM 15 N LEU A 6 -1.492 -8.658 -3.989 1.00 0.00 N ATOM 16 CA LEU A 6 -2.506 -8.106 -3.104 1.00 0.00 C ATOM 17 C LEU A 6 -3.920 -8.510 -3.515 1.00 0.00 C ATOM 18 O LEU A 6 -4.203 -8.761 -4.689 1.00 0.00 O ATOM 19 CB LEU A 6 -2.375 -6.559 -2.951 1.00 0.00 C ATOM 20 CG LEU A 6 -2.291 -5.672 -4.226 1.00 0.00 C ATOM 21 CD1 LEU A 6 -1.023 -5.938 -5.025 1.00 0.00 C ATOM 22 CD2 LEU A 6 -3.511 -5.835 -5.115 1.00 0.00 C ATOM 23 HA LEU A 6 -2.323 -8.544 -2.123 1.00 0.00 H ATOM 24 HB2 LEU A 6 -3.243 -6.221 -2.385 1.00 0.00 H ATOM 25 HB3 LEU A 6 -1.470 -6.372 -2.373 1.00 0.00 H ATOM 26 HG LEU A 6 -2.261 -4.641 -3.874 1.00 0.00 H ATOM 27 HD21 LEU A 6 -3.594 -6.876 -5.429 1.00 0.00 H ATOM 28 HD22 LEU A 6 -4.404 -5.549 -4.560 1.00 0.00 H ATOM 29 HD23 LEU A 6 -3.408 -5.197 -5.992 1.00 0.00 H ATOM 30 HD11 LEU A 6 -0.153 -5.725 -4.404 1.00 0.00 H ATOM 31 HD12 LEU A 6 -1.003 -6.983 -5.335 1.00 0.00 H ATOM 32 HD13 LEU A 6 -1.009 -5.296 -5.906 1.00 0.00 H ATOM 33 H LEU A 6 -1.189 -8.119 -4.825 1.00 0.00 H ATOM 34 N PRO A 7 -4.808 -8.615 -2.517 1.00 0.00 N ATOM 35 CA PRO A 7 -6.233 -8.819 -2.695 1.00 0.00 C ATOM 36 C PRO A 7 -6.924 -7.467 -2.617 1.00 0.00 C ATOM 37 O PRO A 7 -7.026 -6.884 -1.535 1.00 0.00 O ATOM 38 CB PRO A 7 -6.594 -9.692 -1.487 1.00 0.00 C ATOM 39 CG PRO A 7 -5.479 -9.492 -0.484 1.00 0.00 C ATOM 40 CD PRO A 7 -4.494 -8.526 -1.093 1.00 0.00 C ATOM 41 HA PRO A 7 -6.521 -9.273 -3.643 1.00 0.00 H ATOM 42 HD3 PRO A 7 -4.649 -7.515 -0.717 1.00 0.00 H ATOM 43 HD2 PRO A 7 -3.467 -8.832 -0.895 1.00 0.00 H ATOM 44 HG3 PRO A 7 -4.989 -10.443 -0.276 1.00 0.00 H ATOM 45 HG2 PRO A 7 -5.880 -9.081 0.443 1.00 0.00 H ATOM 46 HB2 PRO A 7 -7.547 -9.377 -1.063 1.00 0.00 H ATOM 47 HB3 PRO A 7 -6.657 -10.740 -1.781 1.00 0.00 H ATOM 48 N PRO A 8 -7.396 -6.912 -3.732 1.00 0.00 N ATOM 49 CA PRO A 8 -7.520 -5.482 -3.799 1.00 0.00 C ATOM 50 C PRO A 8 -8.841 -4.884 -3.325 1.00 0.00 C ATOM 51 O PRO A 8 -9.802 -4.714 -4.082 1.00 0.00 O ATOM 52 CB PRO A 8 -7.325 -5.220 -5.292 1.00 0.00 C ATOM 53 CG PRO A 8 -7.777 -6.470 -5.990 1.00 0.00 C ATOM 54 CD PRO A 8 -7.807 -7.581 -4.968 1.00 0.00 C ATOM 55 HA PRO A 8 -6.808 -5.010 -3.122 1.00 0.00 H ATOM 56 HD3 PRO A 8 -8.810 -7.997 -4.872 1.00 0.00 H ATOM 57 HD2 PRO A 8 -7.109 -8.375 -5.233 1.00 0.00 H ATOM 58 HG3 PRO A 8 -7.081 -6.721 -6.791 1.00 0.00 H ATOM 59 HG2 PRO A 8 -8.773 -6.323 -6.408 1.00 0.00 H ATOM 60 HB2 PRO A 8 -7.927 -4.369 -5.610 1.00 0.00 H ATOM 61 HB3 PRO A 8 -6.275 -5.022 -5.509 1.00 0.00 H ATOM 62 N GLY A 9 -8.864 -4.617 -2.028 1.00 0.00 N ATOM 63 CA GLY A 9 -9.366 -3.371 -1.495 1.00 0.00 C ATOM 64 C GLY A 9 -8.170 -2.451 -1.429 1.00 0.00 C ATOM 65 O GLY A 9 -8.265 -1.222 -1.353 1.00 0.00 O ATOM 66 HA3 GLY A 9 -9.786 -3.523 -0.501 1.00 0.00 H ATOM 67 HA2 GLY A 9 -10.131 -2.956 -2.151 1.00 0.00 H ATOM 68 H GLY A 9 -8.506 -5.334 -1.365 1.00 0.00 H ATOM 69 N TRP A 10 -7.029 -3.144 -1.448 1.00 0.00 N ATOM 70 CA TRP A 10 -5.692 -2.593 -1.377 1.00 0.00 C ATOM 71 C TRP A 10 -5.197 -2.297 -2.788 1.00 0.00 C ATOM 72 O TRP A 10 -5.596 -2.966 -3.741 1.00 0.00 O ATOM 73 CB TRP A 10 -4.752 -3.635 -0.763 1.00 0.00 C ATOM 74 CG TRP A 10 -5.189 -4.161 0.575 1.00 0.00 C ATOM 75 CD1 TRP A 10 -6.109 -5.145 0.806 1.00 0.00 C ATOM 76 CD2 TRP A 10 -4.701 -3.762 1.853 1.00 0.00 C ATOM 77 NE1 TRP A 10 -6.232 -5.366 2.153 1.00 0.00 N ATOM 78 CE2 TRP A 10 -5.376 -4.532 2.820 1.00 0.00 C ATOM 79 CE3 TRP A 10 -3.765 -2.825 2.274 1.00 0.00 C ATOM 80 CZ2 TRP A 10 -5.134 -4.390 4.183 1.00 0.00 C ATOM 81 CZ3 TRP A 10 -3.522 -2.688 3.621 1.00 0.00 C ATOM 82 CH2 TRP A 10 -4.204 -3.465 4.564 1.00 0.00 C ATOM 83 HA TRP A 10 -5.708 -1.684 -0.775 1.00 0.00 H ATOM 84 HB2 TRP A 10 -4.680 -4.476 -1.452 1.00 0.00 H ATOM 85 HB3 TRP A 10 -3.769 -3.179 -0.645 1.00 0.00 H ATOM 86 HE1 TRP A 10 -6.872 -6.056 2.596 1.00 0.00 H ATOM 87 HD1 TRP A 10 -6.664 -5.676 0.032 1.00 0.00 H ATOM 88 HZ2 TRP A 10 -5.666 -4.994 4.918 1.00 0.00 H ATOM 89 HH2 TRP A 10 -3.989 -3.329 5.624 1.00 0.00 H ATOM 90 HZ3 TRP A 10 -2.784 -1.961 3.960 1.00 0.00 H ATOM 91 HE3 TRP A 10 -3.233 -2.209 1.549 1.00 0.00 H ATOM 92 H TRP A 10 -7.108 -4.178 -1.521 1.00 0.00 H ATOM 93 N GLU A 11 -4.341 -1.308 -2.921 1.00 0.00 N ATOM 94 CA GLU A 11 -3.844 -0.908 -4.208 1.00 0.00 C ATOM 95 C GLU A 11 -2.344 -0.833 -4.087 1.00 0.00 C ATOM 96 O GLU A 11 -1.819 -0.607 -2.995 1.00 0.00 O ATOM 97 CB GLU A 11 -4.402 0.442 -4.668 1.00 0.00 C ATOM 98 CG GLU A 11 -3.963 1.591 -3.791 1.00 0.00 C ATOM 99 CD GLU A 11 -3.948 2.914 -4.523 1.00 0.00 C ATOM 100 OE1 GLU A 11 -3.315 2.998 -5.594 1.00 0.00 O ATOM 101 OE2 GLU A 11 -4.545 3.885 -4.019 1.00 0.00 O ATOM 102 HA GLU A 11 -4.161 -1.633 -4.958 1.00 0.00 H ATOM 103 HB2 GLU A 11 -4.060 0.631 -5.686 1.00 0.00 H ATOM 104 HB3 GLU A 11 -5.491 0.391 -4.655 1.00 0.00 H ATOM 105 HG2 GLU A 11 -4.649 1.667 -2.947 1.00 0.00 H ATOM 106 HG3 GLU A 11 -2.958 1.385 -3.423 1.00 0.00 H ATOM 107 H GLU A 11 -4.015 -0.802 -2.073 1.00 0.00 H ATOM 108 N LYS A 12 -1.654 -1.070 -5.165 1.00 0.00 N ATOM 109 CA LYS A 12 -0.235 -1.073 -5.125 1.00 0.00 C ATOM 110 C LYS A 12 0.281 0.336 -5.404 1.00 0.00 C ATOM 111 O LYS A 12 0.213 0.829 -6.533 1.00 0.00 O ATOM 112 CB LYS A 12 0.270 -2.058 -6.183 1.00 0.00 C ATOM 113 CG LYS A 12 1.766 -2.238 -6.187 1.00 0.00 C ATOM 114 CD LYS A 12 2.481 -1.076 -6.871 1.00 0.00 C ATOM 115 CE LYS A 12 3.972 -1.336 -7.051 1.00 0.00 C ATOM 116 NZ LYS A 12 4.628 -0.293 -7.889 1.00 0.00 N ATOM 117 HA LYS A 12 0.126 -1.380 -4.143 1.00 0.00 H ATOM 118 HB2 LYS A 12 -0.192 -3.028 -5.997 1.00 0.00 H ATOM 119 HB3 LYS A 12 -0.034 -1.694 -7.164 1.00 0.00 H ATOM 120 HG2 LYS A 12 2.115 -2.309 -5.157 1.00 0.00 H ATOM 121 HG3 LYS A 12 2.008 -3.160 -6.715 1.00 0.00 H ATOM 122 HD2 LYS A 12 2.032 -0.917 -7.852 1.00 0.00 H ATOM 123 HD3 LYS A 12 2.352 -0.180 -6.264 1.00 0.00 H ATOM 124 HE2 LYS A 12 4.104 -2.306 -7.530 1.00 0.00 H ATOM 125 HE3 LYS A 12 4.447 -1.349 -6.070 1.00 0.00 H ATOM 126 HZ1 LYS A 12 4.186 -0.278 -8.830 1.00 0.00 H ATOM 127 HZ2 LYS A 12 4.514 0.636 -7.436 1.00 0.00 H ATOM 128 HZ3 LYS A 12 5.640 -0.512 -7.983 1.00 0.00 H ATOM 129 H LYS A 12 -2.146 -1.258 -6.062 1.00 0.00 H ATOM 130 N ARG A 13 0.763 0.991 -4.363 1.00 0.00 N ATOM 131 CA ARG A 13 1.447 2.263 -4.521 1.00 0.00 C ATOM 132 C ARG A 13 2.895 2.130 -4.096 1.00 0.00 C ATOM 133 O ARG A 13 3.193 1.629 -3.012 1.00 0.00 O ATOM 134 CB ARG A 13 0.787 3.381 -3.706 1.00 0.00 C ATOM 135 CG ARG A 13 -0.619 3.744 -4.151 1.00 0.00 C ATOM 136 CD ARG A 13 -1.211 4.828 -3.261 1.00 0.00 C ATOM 137 NE ARG A 13 -1.413 6.098 -3.964 1.00 0.00 N ATOM 138 CZ ARG A 13 -0.826 7.248 -3.621 1.00 0.00 C ATOM 139 NH1 ARG A 13 0.079 7.276 -2.644 1.00 0.00 N ATOM 140 NH2 ARG A 13 -1.136 8.369 -4.259 1.00 0.00 N ATOM 141 HA ARG A 13 1.385 2.531 -5.576 1.00 0.00 H ATOM 142 HB2 ARG A 13 0.742 3.062 -2.665 1.00 0.00 H ATOM 143 HB3 ARG A 13 1.409 4.272 -3.785 1.00 0.00 H ATOM 144 HG2 ARG A 13 -0.586 4.105 -5.179 1.00 0.00 H ATOM 145 HG3 ARG A 13 -1.250 2.856 -4.099 1.00 0.00 H ATOM 146 HD2 ARG A 13 -0.535 4.998 -2.423 1.00 0.00 H ATOM 147 HD3 ARG A 13 -2.174 4.482 -2.885 1.00 0.00 H ATOM 148 HE ARG A 13 -2.055 6.104 -4.783 1.00 0.00 H ATOM 149 HH12 ARG A 13 0.533 8.174 -2.381 1.00 0.00 H ATOM 150 HH11 ARG A 13 0.332 6.400 -2.144 1.00 0.00 H ATOM 151 HH22 ARG A 13 -0.678 9.264 -3.991 1.00 0.00 H ATOM 152 HH21 ARG A 13 -1.837 8.353 -5.027 1.00 0.00 H ATOM 153 H ARG A 13 0.651 0.588 -3.411 1.00 0.00 H ATOM 154 N THR A 14 3.791 2.561 -4.963 1.00 0.00 N ATOM 155 CA THR A 14 5.189 2.661 -4.610 1.00 0.00 C ATOM 156 C THR A 14 5.448 4.047 -4.033 1.00 0.00 C ATOM 157 O THR A 14 4.761 5.009 -4.391 1.00 0.00 O ATOM 158 CB THR A 14 6.099 2.443 -5.846 1.00 0.00 C ATOM 159 OG1 THR A 14 5.285 2.358 -7.029 1.00 0.00 O ATOM 160 CG2 THR A 14 6.938 1.179 -5.722 1.00 0.00 C ATOM 161 HA THR A 14 5.421 1.888 -3.878 1.00 0.00 H ATOM 162 HB THR A 14 6.781 3.291 -5.910 1.00 0.00 H ATOM 163 HG1 THR A 14 5.866 2.219 -7.819 1.00 0.00 H ATOM 164 HG23 THR A 14 7.556 1.241 -4.826 1.00 0.00 H ATOM 165 HG21 THR A 14 6.280 0.313 -5.652 1.00 0.00 H ATOM 166 HG22 THR A 14 7.577 1.081 -6.600 1.00 0.00 H ATOM 167 H THR A 14 3.486 2.834 -5.919 1.00 0.00 H ATOM 168 N ASP A 15 6.404 4.149 -3.133 1.00 0.00 N ATOM 169 CA ASP A 15 6.872 5.446 -2.698 1.00 0.00 C ATOM 170 C ASP A 15 7.992 5.797 -3.641 1.00 0.00 C ATOM 171 O ASP A 15 8.655 4.889 -4.144 1.00 0.00 O ATOM 172 CB ASP A 15 7.325 5.492 -1.230 1.00 0.00 C ATOM 173 CG ASP A 15 8.540 4.649 -0.913 1.00 0.00 C ATOM 174 OD1 ASP A 15 9.668 5.096 -1.220 1.00 0.00 O ATOM 175 OD2 ASP A 15 8.378 3.580 -0.308 1.00 0.00 O ATOM 176 HA ASP A 15 6.057 6.169 -2.730 1.00 0.00 H ATOM 177 HB2 ASP A 15 7.556 6.527 -0.979 1.00 0.00 H ATOM 178 HB3 ASP A 15 6.499 5.144 -0.609 1.00 0.00 H ATOM 179 H ASP A 15 6.827 3.288 -2.731 1.00 0.00 H ATOM 180 N SER A 16 8.191 7.091 -3.870 1.00 0.00 N ATOM 181 CA SER A 16 8.768 7.619 -5.104 1.00 0.00 C ATOM 182 C SER A 16 9.751 6.683 -5.822 1.00 0.00 C ATOM 183 O SER A 16 9.580 6.443 -7.019 1.00 0.00 O ATOM 184 CB SER A 16 9.447 8.953 -4.798 1.00 0.00 C ATOM 185 OG SER A 16 8.545 9.832 -4.138 1.00 0.00 O ATOM 186 HA SER A 16 7.937 7.737 -5.800 1.00 0.00 H ATOM 187 HB2 SER A 16 9.776 9.411 -5.731 1.00 0.00 H ATOM 188 HB3 SER A 16 10.311 8.777 -4.157 1.00 0.00 H ATOM 189 HG SER A 16 9.001 10.690 -3.948 1.00 0.00 H ATOM 190 H SER A 16 7.920 7.767 -3.128 1.00 0.00 H ATOM 191 N ASN A 17 10.759 6.142 -5.148 1.00 0.00 N ATOM 192 CA ASN A 17 11.725 5.330 -5.870 1.00 0.00 C ATOM 193 C ASN A 17 11.337 3.843 -5.902 1.00 0.00 C ATOM 194 O ASN A 17 10.781 3.346 -6.884 1.00 0.00 O ATOM 195 CB ASN A 17 13.110 5.489 -5.226 1.00 0.00 C ATOM 196 CG ASN A 17 14.212 4.781 -5.993 1.00 0.00 C ATOM 197 OD1 ASN A 17 14.474 3.595 -5.785 1.00 0.00 O ATOM 198 ND2 ASN A 17 14.883 5.513 -6.862 1.00 0.00 N ATOM 199 HA ASN A 17 11.742 5.682 -6.902 1.00 0.00 H ATOM 200 HB2 ASN A 17 13.349 6.551 -5.177 1.00 0.00 H ATOM 201 HB3 ASN A 17 13.072 5.079 -4.217 1.00 0.00 H ATOM 202 HD22 ASN A 17 14.629 6.511 -7.007 1.00 0.00 H ATOM 203 HD21 ASN A 17 15.666 5.092 -7.402 1.00 0.00 H ATOM 204 H ASN A 17 10.856 6.296 -4.124 1.00 0.00 H ATOM 205 N GLY A 18 11.640 3.161 -4.810 1.00 0.00 N ATOM 206 CA GLY A 18 11.570 1.709 -4.765 1.00 0.00 C ATOM 207 C GLY A 18 10.279 1.073 -4.313 1.00 0.00 C ATOM 208 O GLY A 18 9.708 0.234 -5.008 1.00 0.00 O ATOM 209 HA3 GLY A 18 12.353 1.368 -4.088 1.00 0.00 H ATOM 210 HA2 GLY A 18 11.776 1.344 -5.771 1.00 0.00 H ATOM 211 H GLY A 18 11.937 3.678 -3.958 1.00 0.00 H ATOM 212 N ARG A 19 9.850 1.458 -3.130 1.00 0.00 N ATOM 213 CA ARG A 19 9.107 0.556 -2.249 1.00 0.00 C ATOM 214 C ARG A 19 7.602 0.596 -2.456 1.00 0.00 C ATOM 215 O ARG A 19 7.006 1.659 -2.533 1.00 0.00 O ATOM 216 CB ARG A 19 9.421 0.936 -0.812 1.00 0.00 C ATOM 217 CG ARG A 19 8.867 0.008 0.245 1.00 0.00 C ATOM 218 CD ARG A 19 8.789 0.750 1.561 1.00 0.00 C ATOM 219 NE ARG A 19 8.938 -0.121 2.724 1.00 0.00 N ATOM 220 CZ ARG A 19 9.528 0.274 3.852 1.00 0.00 C ATOM 221 NH1 ARG A 19 9.974 1.519 3.955 1.00 0.00 N ATOM 222 NH2 ARG A 19 9.676 -0.560 4.870 1.00 0.00 N ATOM 223 HA ARG A 19 9.421 -0.461 -2.485 1.00 0.00 H ATOM 224 HB2 ARG A 19 10.505 0.962 -0.701 1.00 0.00 H ATOM 225 HB3 ARG A 19 9.014 1.931 -0.631 1.00 0.00 H ATOM 226 HG2 ARG A 19 7.871 -0.325 -0.047 1.00 0.00 H ATOM 227 HG3 ARG A 19 9.521 -0.857 0.351 1.00 0.00 H ATOM 228 HD2 ARG A 19 7.821 1.247 1.622 1.00 0.00 H ATOM 229 HD3 ARG A 19 9.582 1.498 1.585 1.00 0.00 H ATOM 230 HE ARG A 19 8.568 -1.091 2.670 1.00 0.00 H ATOM 231 HH12 ARG A 19 10.436 1.835 4.832 1.00 0.00 H ATOM 232 HH11 ARG A 19 9.862 2.179 3.159 1.00 0.00 H ATOM 233 HH22 ARG A 19 10.138 -0.237 5.744 1.00 0.00 H ATOM 234 HH21 ARG A 19 9.330 -1.538 4.796 1.00 0.00 H ATOM 235 H ARG A 19 10.044 2.429 -2.813 1.00 0.00 H ATOM 236 N VAL A 20 6.996 -0.581 -2.522 1.00 0.00 N ATOM 237 CA VAL A 20 5.549 -0.683 -2.572 1.00 0.00 C ATOM 238 C VAL A 20 4.972 -0.904 -1.184 1.00 0.00 C ATOM 239 O VAL A 20 5.505 -1.663 -0.372 1.00 0.00 O ATOM 240 CB VAL A 20 5.050 -1.815 -3.506 1.00 0.00 C ATOM 241 CG1 VAL A 20 5.704 -3.142 -3.146 1.00 0.00 C ATOM 242 CG2 VAL A 20 3.514 -1.923 -3.449 1.00 0.00 C ATOM 243 HA VAL A 20 5.201 0.266 -2.979 1.00 0.00 H ATOM 244 HB VAL A 20 5.336 -1.568 -4.528 1.00 0.00 H ATOM 245 HG11 VAL A 20 6.785 -3.052 -3.249 1.00 0.00 H ATOM 246 HG12 VAL A 20 5.456 -3.400 -2.117 1.00 0.00 H ATOM 247 HG13 VAL A 20 5.337 -3.920 -3.816 1.00 0.00 H ATOM 248 HG21 VAL A 20 3.204 -2.143 -2.427 1.00 0.00 H ATOM 249 HG22 VAL A 20 3.073 -0.979 -3.768 1.00 0.00 H ATOM 250 HG23 VAL A 20 3.182 -2.723 -4.111 1.00 0.00 H ATOM 251 H VAL A 20 7.569 -1.449 -2.538 1.00 0.00 H ATOM 252 N TYR A 21 3.900 -0.201 -0.930 1.00 0.00 N ATOM 253 CA TYR A 21 3.088 -0.404 0.236 1.00 0.00 C ATOM 254 C TYR A 21 1.644 -0.584 -0.181 1.00 0.00 C ATOM 255 O TYR A 21 1.184 0.006 -1.162 1.00 0.00 O ATOM 256 CB TYR A 21 3.279 0.752 1.218 1.00 0.00 C ATOM 257 CG TYR A 21 3.031 2.108 0.606 1.00 0.00 C ATOM 258 CD1 TYR A 21 1.754 2.636 0.474 1.00 0.00 C ATOM 259 CD2 TYR A 21 4.104 2.856 0.142 1.00 0.00 C ATOM 260 CE1 TYR A 21 1.557 3.874 -0.109 1.00 0.00 C ATOM 261 CE2 TYR A 21 3.922 4.089 -0.433 1.00 0.00 C ATOM 262 CZ TYR A 21 2.643 4.598 -0.560 1.00 0.00 C ATOM 263 OH TYR A 21 2.451 5.830 -1.145 1.00 0.00 O ATOM 264 HA TYR A 21 3.395 -1.312 0.755 1.00 0.00 H ATOM 265 HB3 TYR A 21 4.303 0.723 1.590 1.00 0.00 H ATOM 266 HB2 TYR A 21 2.587 0.617 2.050 1.00 0.00 H ATOM 267 HD2 TYR A 21 5.113 2.456 0.236 1.00 0.00 H ATOM 268 HE2 TYR A 21 4.779 4.662 -0.787 1.00 0.00 H ATOM 269 HE1 TYR A 21 0.549 4.277 -0.212 1.00 0.00 H ATOM 270 HD1 TYR A 21 0.896 2.068 0.834 1.00 0.00 H ATOM 271 HH TYR A 21 1.484 6.042 -1.156 1.00 0.00 H ATOM 272 H TYR A 21 3.622 0.540 -1.604 1.00 0.00 H ATOM 273 N PHE A 22 0.943 -1.425 0.541 1.00 0.00 N ATOM 274 CA PHE A 22 -0.418 -1.756 0.195 1.00 0.00 C ATOM 275 C PHE A 22 -1.355 -0.780 0.883 1.00 0.00 C ATOM 276 O PHE A 22 -1.325 -0.619 2.105 1.00 0.00 O ATOM 277 CB PHE A 22 -0.731 -3.196 0.606 1.00 0.00 C ATOM 278 CG PHE A 22 0.219 -4.206 0.020 1.00 0.00 C ATOM 279 CD1 PHE A 22 -0.012 -4.757 -1.232 1.00 0.00 C ATOM 280 CD2 PHE A 22 1.350 -4.601 0.722 1.00 0.00 C ATOM 281 CE1 PHE A 22 0.868 -5.681 -1.769 1.00 0.00 C ATOM 282 CE2 PHE A 22 2.227 -5.525 0.188 1.00 0.00 C ATOM 283 CZ PHE A 22 1.986 -6.064 -1.060 1.00 0.00 C ATOM 284 HA PHE A 22 -0.554 -1.679 -0.884 1.00 0.00 H ATOM 285 HB2 PHE A 22 -0.681 -3.264 1.693 1.00 0.00 H ATOM 286 HB3 PHE A 22 -1.741 -3.438 0.275 1.00 0.00 H ATOM 287 HD2 PHE A 22 1.548 -4.177 1.706 1.00 0.00 H ATOM 288 HE2 PHE A 22 3.109 -5.829 0.752 1.00 0.00 H ATOM 289 HZ PHE A 22 2.679 -6.791 -1.484 1.00 0.00 H ATOM 290 HE1 PHE A 22 0.676 -6.106 -2.754 1.00 0.00 H ATOM 291 HD1 PHE A 22 -0.895 -4.460 -1.798 1.00 0.00 H ATOM 292 H PHE A 22 1.377 -1.862 1.379 1.00 0.00 H ATOM 293 N VAL A 23 -2.157 -0.103 0.090 1.00 0.00 N ATOM 294 CA VAL A 23 -3.007 0.962 0.592 1.00 0.00 C ATOM 295 C VAL A 23 -4.480 0.690 0.276 1.00 0.00 C ATOM 296 O VAL A 23 -4.834 0.379 -0.856 1.00 0.00 O ATOM 297 CB VAL A 23 -2.540 2.325 0.016 1.00 0.00 C ATOM 298 CG1 VAL A 23 -1.789 2.126 -1.297 1.00 0.00 C ATOM 299 CG2 VAL A 23 -3.708 3.287 -0.179 1.00 0.00 C ATOM 300 HA VAL A 23 -2.918 1.000 1.678 1.00 0.00 H ATOM 301 HB VAL A 23 -1.863 2.771 0.744 1.00 0.00 H ATOM 302 HG11 VAL A 23 -0.915 1.498 -1.123 1.00 0.00 H ATOM 303 HG12 VAL A 23 -2.446 1.643 -2.020 1.00 0.00 H ATOM 304 HG13 VAL A 23 -1.471 3.095 -1.683 1.00 0.00 H ATOM 305 HG21 VAL A 23 -4.426 2.849 -0.873 1.00 0.00 H ATOM 306 HG22 VAL A 23 -4.192 3.468 0.781 1.00 0.00 H ATOM 307 HG23 VAL A 23 -3.338 4.229 -0.584 1.00 0.00 H ATOM 308 H VAL A 23 -2.183 -0.337 -0.923 1.00 0.00 H ATOM 309 N ASN A 24 -5.326 0.784 1.294 1.00 0.00 N ATOM 310 CA ASN A 24 -6.749 0.497 1.139 1.00 0.00 C ATOM 311 C ASN A 24 -7.540 1.800 1.034 1.00 0.00 C ATOM 312 O ASN A 24 -7.345 2.720 1.828 1.00 0.00 O ATOM 313 CB ASN A 24 -7.246 -0.342 2.327 1.00 0.00 C ATOM 314 CG ASN A 24 -8.662 -0.883 2.151 1.00 0.00 C ATOM 315 OD1 ASN A 24 -9.502 -0.290 1.473 1.00 0.00 O ATOM 316 ND2 ASN A 24 -8.944 -2.013 2.781 1.00 0.00 N ATOM 317 HA ASN A 24 -6.900 -0.073 0.222 1.00 0.00 H ATOM 318 HB2 ASN A 24 -6.569 -1.186 2.458 1.00 0.00 H ATOM 319 HB3 ASN A 24 -7.225 0.281 3.221 1.00 0.00 H ATOM 320 HD22 ASN A 24 -8.213 -2.490 3.346 1.00 0.00 H ATOM 321 HD21 ASN A 24 -9.897 -2.424 2.711 1.00 0.00 H ATOM 322 H ASN A 24 -4.966 1.070 2.227 1.00 0.00 H ATOM 323 N HIS A 25 -8.433 1.871 0.053 1.00 0.00 N ATOM 324 CA HIS A 25 -9.218 3.079 -0.189 1.00 0.00 C ATOM 325 C HIS A 25 -10.394 3.196 0.770 1.00 0.00 C ATOM 326 O HIS A 25 -10.817 4.300 1.112 1.00 0.00 O ATOM 327 CB HIS A 25 -9.735 3.113 -1.629 1.00 0.00 C ATOM 328 CG HIS A 25 -8.748 3.663 -2.607 1.00 0.00 C ATOM 329 ND1 HIS A 25 -8.900 4.888 -3.206 1.00 0.00 N ATOM 330 CD2 HIS A 25 -7.596 3.151 -3.087 1.00 0.00 C ATOM 331 CE1 HIS A 25 -7.884 5.108 -4.016 1.00 0.00 C ATOM 332 NE2 HIS A 25 -7.073 4.068 -3.961 1.00 0.00 N ATOM 333 HA HIS A 25 -8.552 3.925 -0.020 1.00 0.00 H ATOM 334 HB2 HIS A 25 -9.987 2.096 -1.929 1.00 0.00 H ATOM 335 HB3 HIS A 25 -10.632 3.732 -1.659 1.00 0.00 H ATOM 336 HD2 HIS A 25 -7.161 2.186 -2.828 1.00 0.00 H ATOM 337 HE1 HIS A 25 -7.738 5.998 -4.628 1.00 0.00 H ATOM 338 H HIS A 25 -8.577 1.043 -0.560 1.00 0.00 H ATOM 339 N ASN A 26 -10.915 2.061 1.212 1.00 0.00 N ATOM 340 CA ASN A 26 -12.112 2.053 2.050 1.00 0.00 C ATOM 341 C ASN A 26 -11.786 2.500 3.465 1.00 0.00 C ATOM 342 O ASN A 26 -12.523 3.277 4.069 1.00 0.00 O ATOM 343 CB ASN A 26 -12.757 0.664 2.073 1.00 0.00 C ATOM 344 CG ASN A 26 -13.358 0.270 0.737 1.00 0.00 C ATOM 345 OD1 ASN A 26 -14.511 0.594 0.441 1.00 0.00 O ATOM 346 ND2 ASN A 26 -12.593 -0.447 -0.072 1.00 0.00 N ATOM 347 HA ASN A 26 -12.823 2.757 1.618 1.00 0.00 H ATOM 348 HB2 ASN A 26 -11.996 -0.069 2.342 1.00 0.00 H ATOM 349 HB3 ASN A 26 -13.546 0.659 2.825 1.00 0.00 H ATOM 350 HD22 ASN A 26 -11.626 -0.699 0.215 1.00 0.00 H ATOM 351 HD21 ASN A 26 -12.959 -0.758 -0.994 1.00 0.00 H ATOM 352 H ASN A 26 -10.464 1.159 0.958 1.00 0.00 H ATOM 353 N THR A 27 -10.674 2.015 3.985 1.00 0.00 N ATOM 354 CA THR A 27 -10.243 2.367 5.324 1.00 0.00 C ATOM 355 C THR A 27 -9.359 3.608 5.295 1.00 0.00 C ATOM 356 O THR A 27 -9.194 4.289 6.310 1.00 0.00 O ATOM 357 CB THR A 27 -9.490 1.209 5.973 1.00 0.00 C ATOM 358 OG1 THR A 27 -8.378 0.818 5.156 1.00 0.00 O ATOM 359 CG2 THR A 27 -10.411 0.022 6.169 1.00 0.00 C ATOM 360 HA THR A 27 -11.132 2.581 5.917 1.00 0.00 H ATOM 361 HB THR A 27 -9.124 1.543 6.944 1.00 0.00 H ATOM 362 HG1 THR A 27 -7.900 0.067 5.589 1.00 0.00 H ATOM 363 HG23 THR A 27 -11.256 0.318 6.790 1.00 0.00 H ATOM 364 HG21 THR A 27 -10.773 -0.320 5.199 1.00 0.00 H ATOM 365 HG22 THR A 27 -9.864 -0.784 6.658 1.00 0.00 H ATOM 366 H THR A 27 -10.092 1.364 3.420 1.00 0.00 H ATOM 367 N ARG A 28 -8.808 3.890 4.109 1.00 0.00 N ATOM 368 CA ARG A 28 -7.898 5.014 3.897 1.00 0.00 C ATOM 369 C ARG A 28 -6.667 4.872 4.775 1.00 0.00 C ATOM 370 O ARG A 28 -6.448 5.670 5.686 1.00 0.00 O ATOM 371 CB ARG A 28 -8.578 6.358 4.174 1.00 0.00 C ATOM 372 CG ARG A 28 -9.872 6.568 3.413 1.00 0.00 C ATOM 373 CD ARG A 28 -10.432 7.956 3.664 1.00 0.00 C ATOM 374 NE ARG A 28 -10.513 8.275 5.089 1.00 0.00 N ATOM 375 CZ ARG A 28 -11.350 9.173 5.601 1.00 0.00 C ATOM 376 NH1 ARG A 28 -12.205 9.816 4.813 1.00 0.00 N ATOM 377 NH2 ARG A 28 -11.337 9.425 6.901 1.00 0.00 N ATOM 378 HA ARG A 28 -7.601 4.997 2.848 1.00 0.00 H ATOM 379 HB2 ARG A 28 -8.795 6.418 5.241 1.00 0.00 H ATOM 380 HB3 ARG A 28 -7.886 7.154 3.899 1.00 0.00 H ATOM 381 HG2 ARG A 28 -9.682 6.447 2.346 1.00 0.00 H ATOM 382 HG3 ARG A 28 -10.601 5.825 3.737 1.00 0.00 H ATOM 383 HD2 ARG A 28 -11.432 8.013 3.235 1.00 0.00 H ATOM 384 HD3 ARG A 28 -9.787 8.687 3.177 1.00 0.00 H ATOM 385 HE ARG A 28 -9.879 7.770 5.740 1.00 0.00 H ATOM 386 HH12 ARG A 28 -12.858 10.517 5.217 1.00 0.00 H ATOM 387 HH11 ARG A 28 -12.221 9.618 3.792 1.00 0.00 H ATOM 388 HH22 ARG A 28 -11.992 10.127 7.301 1.00 0.00 H ATOM 389 HH21 ARG A 28 -10.672 8.921 7.522 1.00 0.00 H ATOM 390 H ARG A 28 -9.038 3.280 3.299 1.00 0.00 H ATOM 391 N ILE A 29 -5.880 3.840 4.516 1.00 0.00 N ATOM 392 CA ILE A 29 -4.685 3.594 5.302 1.00 0.00 C ATOM 393 C ILE A 29 -3.582 3.001 4.433 1.00 0.00 C ATOM 394 O ILE A 29 -3.846 2.262 3.480 1.00 0.00 O ATOM 395 CB ILE A 29 -4.970 2.655 6.504 1.00 0.00 C ATOM 396 CG1 ILE A 29 -3.770 2.621 7.459 1.00 0.00 C ATOM 397 CG2 ILE A 29 -5.313 1.247 6.023 1.00 0.00 C ATOM 398 CD1 ILE A 29 -3.995 1.778 8.698 1.00 0.00 C ATOM 399 HA ILE A 29 -4.355 4.555 5.695 1.00 0.00 H ATOM 400 HB ILE A 29 -5.830 3.048 7.046 1.00 0.00 H ATOM 401 HG12 ILE A 29 -2.913 2.217 6.920 1.00 0.00 H ATOM 402 HG13 ILE A 29 -3.552 3.642 7.773 1.00 0.00 H ATOM 403 HD11 ILE A 29 -4.842 2.175 9.257 1.00 0.00 H ATOM 404 HD12 ILE A 29 -4.203 0.749 8.403 1.00 0.00 H ATOM 405 HD13 ILE A 29 -3.101 1.805 9.322 1.00 0.00 H ATOM 406 HG21 ILE A 29 -6.199 1.287 5.390 1.00 0.00 H ATOM 407 HG22 ILE A 29 -4.475 0.845 5.453 1.00 0.00 H ATOM 408 HG23 ILE A 29 -5.509 0.608 6.884 1.00 0.00 H ATOM 409 H ILE A 29 -6.122 3.195 3.737 1.00 0.00 H ATOM 410 N THR A 30 -2.356 3.356 4.758 1.00 0.00 N ATOM 411 CA THR A 30 -1.186 2.868 4.058 1.00 0.00 C ATOM 412 C THR A 30 -0.385 1.943 4.969 1.00 0.00 C ATOM 413 O THR A 30 0.077 2.355 6.034 1.00 0.00 O ATOM 414 CB THR A 30 -0.315 4.057 3.622 1.00 0.00 C ATOM 415 OG1 THR A 30 -0.283 5.025 4.681 1.00 0.00 O ATOM 416 CG2 THR A 30 -0.865 4.700 2.355 1.00 0.00 C ATOM 417 HA THR A 30 -1.500 2.310 3.176 1.00 0.00 H ATOM 418 HB THR A 30 0.692 3.698 3.411 1.00 0.00 H ATOM 419 HG1 THR A 30 0.277 5.794 4.407 1.00 0.00 H ATOM 420 HG23 THR A 30 -0.887 3.961 1.554 1.00 0.00 H ATOM 421 HG21 THR A 30 -1.875 5.064 2.543 1.00 0.00 H ATOM 422 HG22 THR A 30 -0.225 5.533 2.065 1.00 0.00 H ATOM 423 H THR A 30 -2.222 4.015 5.551 1.00 0.00 H ATOM 424 N GLN A 31 -0.240 0.687 4.574 1.00 0.00 N ATOM 425 CA GLN A 31 0.447 -0.281 5.413 1.00 0.00 C ATOM 426 C GLN A 31 1.636 -0.904 4.696 1.00 0.00 C ATOM 427 O GLN A 31 1.620 -1.083 3.477 1.00 0.00 O ATOM 428 CB GLN A 31 -0.515 -1.360 5.878 1.00 0.00 C ATOM 429 CG GLN A 31 -1.622 -0.845 6.787 1.00 0.00 C ATOM 430 CD GLN A 31 -2.460 -1.959 7.388 1.00 0.00 C ATOM 431 OE1 GLN A 31 -1.970 -3.062 7.627 1.00 0.00 O ATOM 432 NE2 GLN A 31 -3.726 -1.675 7.646 1.00 0.00 N ATOM 433 HA GLN A 31 0.828 0.252 6.284 1.00 0.00 H ATOM 434 HB2 GLN A 31 -0.974 -1.813 5.000 1.00 0.00 H ATOM 435 HB3 GLN A 31 0.052 -2.116 6.421 1.00 0.00 H ATOM 436 HG2 GLN A 31 -1.169 -0.274 7.598 1.00 0.00 H ATOM 437 HG3 GLN A 31 -2.275 -0.193 6.206 1.00 0.00 H ATOM 438 HE22 GLN A 31 -4.102 -0.730 7.429 1.00 0.00 H ATOM 439 HE21 GLN A 31 -4.346 -2.397 8.066 1.00 0.00 H ATOM 440 H GLN A 31 -0.622 0.390 3.653 1.00 0.00 H ATOM 441 N TRP A 32 2.673 -1.222 5.463 1.00 0.00 N ATOM 442 CA TRP A 32 3.859 -1.884 4.930 1.00 0.00 C ATOM 443 C TRP A 32 3.640 -3.389 4.928 1.00 0.00 C ATOM 444 O TRP A 32 4.484 -4.162 4.474 1.00 0.00 O ATOM 445 CB TRP A 32 5.084 -1.570 5.791 1.00 0.00 C ATOM 446 CG TRP A 32 5.360 -0.107 5.992 1.00 0.00 C ATOM 447 CD1 TRP A 32 5.417 0.554 7.186 1.00 0.00 C ATOM 448 CD2 TRP A 32 5.614 0.877 4.981 1.00 0.00 C ATOM 449 NE1 TRP A 32 5.706 1.878 6.981 1.00 0.00 N ATOM 450 CE2 TRP A 32 5.826 2.103 5.638 1.00 0.00 C ATOM 451 CE3 TRP A 32 5.688 0.842 3.589 1.00 0.00 C ATOM 452 CZ2 TRP A 32 6.107 3.279 4.949 1.00 0.00 C ATOM 453 CZ3 TRP A 32 5.963 2.013 2.908 1.00 0.00 C ATOM 454 CH2 TRP A 32 6.171 3.214 3.588 1.00 0.00 C ATOM 455 HA TRP A 32 4.030 -1.522 3.916 1.00 0.00 H ATOM 456 HB2 TRP A 32 4.935 -2.024 6.771 1.00 0.00 H ATOM 457 HB3 TRP A 32 5.956 -2.017 5.314 1.00 0.00 H ATOM 458 HE1 TRP A 32 5.816 2.595 7.726 1.00 0.00 H ATOM 459 HD1 TRP A 32 5.256 0.095 8.161 1.00 0.00 H ATOM 460 HZ2 TRP A 32 6.270 4.218 5.478 1.00 0.00 H ATOM 461 HH2 TRP A 32 6.389 4.118 3.020 1.00 0.00 H ATOM 462 HZ3 TRP A 32 6.018 1.998 1.820 1.00 0.00 H ATOM 463 HE3 TRP A 32 5.532 -0.091 3.048 1.00 0.00 H ATOM 464 H TRP A 32 2.638 -0.992 6.477 1.00 0.00 H ATOM 465 N GLU A 33 2.492 -3.787 5.452 1.00 0.00 N ATOM 466 CA GLU A 33 2.208 -5.185 5.718 1.00 0.00 C ATOM 467 C GLU A 33 1.317 -5.778 4.637 1.00 0.00 C ATOM 468 O GLU A 33 0.448 -5.097 4.088 1.00 0.00 O ATOM 469 CB GLU A 33 1.504 -5.315 7.068 1.00 0.00 C ATOM 470 CG GLU A 33 2.184 -4.553 8.195 1.00 0.00 C ATOM 471 CD GLU A 33 3.565 -5.079 8.513 1.00 0.00 C ATOM 472 OE1 GLU A 33 3.671 -6.013 9.333 1.00 0.00 O ATOM 473 OE2 GLU A 33 4.554 -4.554 7.961 1.00 0.00 O ATOM 474 HA GLU A 33 3.153 -5.728 5.730 1.00 0.00 H ATOM 475 HB2 GLU A 33 0.487 -4.937 6.963 1.00 0.00 H ATOM 476 HB3 GLU A 33 1.472 -6.371 7.338 1.00 0.00 H ATOM 477 HG2 GLU A 33 2.269 -3.506 7.905 1.00 0.00 H ATOM 478 HG3 GLU A 33 1.567 -4.632 9.090 1.00 0.00 H ATOM 479 H GLU A 33 1.770 -3.075 5.681 1.00 0.00 H ATOM 480 N ASP A 34 1.538 -7.046 4.343 1.00 0.00 N ATOM 481 CA ASP A 34 0.664 -7.799 3.460 1.00 0.00 C ATOM 482 C ASP A 34 -0.162 -8.782 4.289 1.00 0.00 C ATOM 483 O ASP A 34 0.380 -9.728 4.866 1.00 0.00 O ATOM 484 CB ASP A 34 1.482 -8.525 2.384 1.00 0.00 C ATOM 485 CG ASP A 34 0.809 -9.779 1.862 1.00 0.00 C ATOM 486 OD1 ASP A 34 -0.344 -9.696 1.398 1.00 0.00 O ATOM 487 OD2 ASP A 34 1.446 -10.855 1.923 1.00 0.00 O ATOM 488 HA ASP A 34 -0.014 -7.117 2.948 1.00 0.00 H ATOM 489 HB2 ASP A 34 1.638 -7.843 1.549 1.00 0.00 H ATOM 490 HB3 ASP A 34 2.446 -8.802 2.810 1.00 0.00 H ATOM 491 H ASP A 34 2.365 -7.521 4.757 1.00 0.00 H ATOM 492 N PRO A 35 -1.475 -8.512 4.416 1.00 0.00 N ATOM 493 CA PRO A 35 -2.423 -9.370 5.139 1.00 0.00 C ATOM 494 C PRO A 35 -2.261 -10.870 4.868 1.00 0.00 C ATOM 495 CB PRO A 35 -3.790 -8.927 4.617 1.00 0.00 C ATOM 496 CG PRO A 35 -3.602 -7.588 3.975 1.00 0.00 C ATOM 497 CD PRO A 35 -2.126 -7.292 3.914 1.00 0.00 C ATOM 498 HA PRO A 35 -2.271 -9.259 6.213 1.00 0.00 H ATOM 499 HD3 PRO A 35 -1.818 -7.086 2.889 1.00 0.00 H ATOM 500 HD2 PRO A 35 -1.879 -6.438 4.545 1.00 0.00 H ATOM 501 HG3 PRO A 35 -4.107 -6.823 4.564 1.00 0.00 H ATOM 502 HG2 PRO A 35 -4.017 -7.601 2.967 1.00 0.00 H ATOM 503 HB2 PRO A 35 -4.162 -9.644 3.885 1.00 0.00 H ATOM 504 HB3 PRO A 35 -4.499 -8.851 5.442 1.00 0.00 H TER 505 PRO A 35 HETATM 506 N GLU A 1 11.995 1.315 12.289 1.00 0.24 N HETATM 507 CA GLU A 1 11.552 2.683 12.633 1.00 0.07 C HETATM 508 C GLU A 1 11.421 3.543 11.383 1.00 0.23 C HETATM 509 O GLU A 1 12.307 4.340 11.073 1.00 -0.39 O HETATM 510 N GLU A 1 10.335 3.366 10.646 1.00 -0.26 N HETATM 511 CA GLU A 1 10.052 4.236 9.517 1.00 0.13 C HETATM 512 C GLU A 1 8.645 4.788 9.654 1.00 0.21 C HETATM 513 O GLU A 1 7.773 4.116 10.209 1.00 -0.39 O HETATM 514 N GLU A 1 8.387 6.005 9.171 1.00 -0.25 N HETATM 515 CA GLU A 1 7.031 6.524 9.088 1.00 0.13 C HETATM 516 C GLU A 1 6.284 5.945 7.894 1.00 0.21 C HETATM 517 O GLU A 1 6.896 5.625 6.870 1.00 -0.39 O HETATM 518 N GLU A 1 4.966 5.782 8.005 1.00 -0.25 N HETATM 519 CA GLU A 1 4.099 5.592 6.849 1.00 0.13 C HETATM 520 C GLU A 1 3.835 6.927 6.156 1.00 0.21 C HETATM 521 O GLU A 1 3.828 7.976 6.808 1.00 -0.39 O HETATM 522 N GLU A 1 3.640 6.930 4.837 1.00 -0.25 N HETATM 523 CA GLU A 1 3.177 8.120 4.146 1.00 0.13 C HETATM 524 C GLU A 1 1.680 8.288 4.361 1.00 0.21 C HETATM 525 O GLU A 1 0.962 7.298 4.498 1.00 -0.39 O HETATM 526 N GLU A 1 1.175 9.522 4.392 1.00 -0.25 N HETATM 527 CA GLU A 1 -0.232 9.761 4.673 1.00 0.13 C HETATM 528 C GLU A 1 -1.091 9.474 3.453 1.00 0.20 C HETATM 529 O GLU A 1 -0.644 9.635 2.312 1.00 -0.39 O HETATM 530 N GLU A 1 -2.320 9.035 3.688 1.00 -0.26 N HETATM 531 CA GLU A 1 -3.220 8.740 2.597 1.00 0.14 C HETATM 532 C GLU A 1 -3.800 10.028 2.035 1.00 0.21 C HETATM 533 O GLU A 1 -4.725 10.616 2.595 1.00 -0.39 O HETATM 534 N GLU A 1 -3.200 10.468 0.951 1.00 -0.26 N HETATM 535 CA GLU A 1 -3.660 11.621 0.212 1.00 0.13 C HETATM 536 C GLU A 1 -3.007 11.583 -1.159 1.00 0.20 C HETATM 537 O GLU A 1 -1.789 11.740 -1.273 1.00 -0.39 O HETATM 538 N GLU A 1 -3.803 11.327 -2.184 1.00 -0.27 N HETATM 539 CA GLU A 1 -3.273 11.157 -3.531 1.00 0.11 C HETATM 540 C GLU A 1 -2.751 12.477 -4.076 1.00 0.06 C HETATM 541 O GLU A 1 -1.542 12.558 -4.377 1.00 -0.57 O HETATM 542 OXT GLU A 1 -3.541 13.437 -4.165 1.00 -0.57 O HETATM 543 CB GLU A 1 -4.332 10.580 -4.472 1.00 0.04 C HETATM 544 CG GLU A 1 -3.772 10.302 -5.850 1.00 0.04 C HETATM 545 OD1 GLU A 1 -2.916 9.396 -5.979 1.00 -0.57 O HETATM 546 OD2 GLU A 1 -4.172 10.988 -6.814 1.00 -0.57 O HETATM 547 H60 GLU A 1 -5.158 11.301 -4.563 1.00 0.05 H HETATM 548 H61 GLU A 1 -4.712 9.639 -4.046 1.00 0.05 H HETATM 549 H59 GLU A 1 -2.434 10.448 -3.481 1.00 0.07 H HETATM 550 H58 GLU A 1 -4.788 11.248 -2.032 1.00 0.19 H HETATM 551 CB GLU A 1 -3.291 12.914 0.938 1.00 -0.00 C HETATM 552 CG GLU A 1 -4.142 14.097 0.524 1.00 0.00 C HETATM 553 CD GLU A 1 -5.528 14.061 1.133 1.00 0.04 C HETATM 554 OE1 GLU A 1 -5.674 14.437 2.318 1.00 -0.57 O HETATM 555 OE2 GLU A 1 -6.483 13.669 0.433 1.00 -0.57 O HETATM 556 H56 GLU A 1 -4.239 14.095 -0.572 1.00 0.04 H HETATM 557 H57 GLU A 1 -3.640 15.021 0.846 1.00 0.04 H HETATM 558 H54 GLU A 1 -2.238 13.148 0.721 1.00 0.03 H HETATM 559 H55 GLU A 1 -3.416 12.755 2.019 1.00 0.03 H HETATM 560 H53 GLU A 1 -4.753 11.573 0.101 1.00 0.08 H HETATM 561 H52 GLU A 1 -2.389 9.983 0.624 1.00 0.19 H HETATM 562 CB GLU A 1 -4.338 7.779 3.020 1.00 0.02 C HETATM 563 CG GLU A 1 -5.343 7.536 1.916 1.00 -0.05 C HETATM 564 CD1 GLU A 1 -5.089 6.608 0.919 1.00 -0.07 C HETATM 565 CE1 GLU A 1 -5.989 6.398 -0.106 1.00 -0.04 C HETATM 566 CZ GLU A 1 -7.158 7.123 -0.146 1.00 0.08 C HETATM 567 CE2 GLU A 1 -7.433 8.057 0.832 1.00 -0.04 C HETATM 568 CD2 GLU A 1 -6.529 8.258 1.855 1.00 -0.07 C HETATM 569 H48 GLU A 1 -6.747 8.991 2.623 1.00 0.05 H HETATM 570 H50 GLU A 1 -8.353 8.629 0.797 1.00 0.05 H HETATM 571 OH GLU A 1 -8.054 6.913 -1.166 1.00 -0.34 O HETATM 572 H51 GLU A 1 -7.717 6.244 -1.750 1.00 0.25 H HETATM 573 H49 GLU A 1 -5.776 5.665 -0.876 1.00 0.05 H HETATM 574 H47 GLU A 1 -4.168 6.037 0.945 1.00 0.05 H HETATM 575 H45 GLU A 1 -4.863 8.208 3.886 1.00 0.05 H HETATM 576 H46 GLU A 1 -3.887 6.817 3.304 1.00 0.05 H HETATM 577 H44 GLU A 1 -2.639 8.250 1.802 1.00 0.08 H HETATM 578 H43 GLU A 1 -2.627 8.907 4.631 1.00 0.19 H HETATM 579 CB GLU A 1 -0.287 11.257 5.031 1.00 -0.01 C HETATM 580 CG GLU A 1 1.134 11.735 5.033 1.00 -0.03 C HETATM 581 CD GLU A 1 1.910 10.768 4.187 1.00 0.04 C HETATM 582 H41 GLU A 1 1.901 11.067 3.128 1.00 0.05 H HETATM 583 H42 GLU A 1 2.950 10.680 4.534 1.00 0.05 H HETATM 584 H39 GLU A 1 1.530 11.745 6.059 1.00 0.03 H HETATM 585 H40 GLU A 1 1.195 12.747 4.606 1.00 0.03 H HETATM 586 H37 GLU A 1 -0.738 11.396 6.025 1.00 0.03 H HETATM 587 H38 GLU A 1 -0.874 11.808 4.282 1.00 0.03 H HETATM 588 H36 GLU A 1 -0.573 9.142 5.516 1.00 0.08 H HETATM 589 CB GLU A 1 3.501 7.835 2.681 1.00 -0.01 C HETATM 590 CG GLU A 1 3.487 6.347 2.566 1.00 -0.03 C HETATM 591 CD GLU A 1 3.863 5.798 3.923 1.00 0.04 C HETATM 592 H34 GLU A 1 3.222 4.946 4.192 1.00 0.05 H HETATM 593 H35 GLU A 1 4.917 5.483 3.939 1.00 0.05 H HETATM 594 H32 GLU A 1 4.216 6.019 1.810 1.00 0.03 H HETATM 595 H33 GLU A 1 2.483 5.999 2.282 1.00 0.03 H HETATM 596 H30 GLU A 1 4.492 8.234 2.419 1.00 0.03 H HETATM 597 H31 GLU A 1 2.741 8.281 2.023 1.00 0.03 H HETATM 598 H29 GLU A 1 3.706 9.018 4.498 1.00 0.08 H HETATM 599 CB GLU A 1 2.796 5.026 7.445 1.00 -0.01 C HETATM 600 CG GLU A 1 3.076 4.795 8.897 1.00 -0.03 C HETATM 601 CD GLU A 1 4.214 5.704 9.259 1.00 0.04 C HETATM 602 H27 GLU A 1 3.849 6.695 9.566 1.00 0.05 H HETATM 603 H28 GLU A 1 4.827 5.273 10.064 1.00 0.05 H HETATM 604 H25 GLU A 1 3.358 3.746 9.068 1.00 0.03 H HETATM 605 H26 GLU A 1 2.188 5.039 9.499 1.00 0.03 H HETATM 606 H23 GLU A 1 2.529 4.080 6.952 1.00 0.03 H HETATM 607 H24 GLU A 1 1.975 5.747 7.324 1.00 0.03 H HETATM 608 H22 GLU A 1 4.545 4.885 6.134 1.00 0.08 H HETATM 609 CB GLU A 1 7.246 8.027 8.927 1.00 -0.01 C HETATM 610 CG GLU A 1 8.556 8.147 8.225 1.00 -0.03 C HETATM 611 CD GLU A 1 9.385 6.969 8.669 1.00 0.04 C HETATM 612 H20 GLU A 1 9.948 6.546 7.824 1.00 0.05 H HETATM 613 H21 GLU A 1 10.084 7.260 9.467 1.00 0.05 H HETATM 614 H18 GLU A 1 9.052 9.088 8.504 1.00 0.03 H HETATM 615 H19 GLU A 1 8.408 8.119 7.135 1.00 0.03 H HETATM 616 H16 GLU A 1 7.285 8.521 9.909 1.00 0.03 H HETATM 617 H17 GLU A 1 6.441 8.472 8.325 1.00 0.03 H HETATM 618 H15 GLU A 1 6.470 6.304 10.008 1.00 0.08 H HETATM 619 CB GLU A 1 10.153 3.445 8.206 1.00 -0.00 C HETATM 620 CG GLU A 1 11.448 2.662 8.042 1.00 0.00 C HETATM 621 CD GLU A 1 11.414 1.747 6.839 1.00 0.04 C HETATM 622 OE1 GLU A 1 10.964 0.586 6.974 1.00 -0.57 O HETATM 623 OE2 GLU A 1 11.836 2.175 5.747 1.00 -0.57 O HETATM 624 H13 GLU A 1 11.611 2.055 8.944 1.00 0.04 H HETATM 625 H14 GLU A 1 12.279 3.373 7.923 1.00 0.04 H HETATM 626 H11 GLU A 1 10.072 4.154 7.369 1.00 0.03 H HETATM 627 H12 GLU A 1 9.314 2.734 8.167 1.00 0.03 H HETATM 628 H10 GLU A 1 10.775 5.065 9.502 1.00 0.08 H HETATM 629 H9 GLU A 1 9.702 2.625 10.869 1.00 0.19 H HETATM 630 CB GLU A 1 12.523 3.361 13.607 1.00 0.02 C HETATM 631 CG GLU A 1 12.677 2.648 14.943 1.00 0.01 C HETATM 632 CD GLU A 1 13.407 1.330 14.814 1.00 0.04 C HETATM 633 OE1 GLU A 1 14.648 1.339 14.787 1.00 -0.57 O HETATM 634 OE2 GLU A 1 12.735 0.284 14.703 1.00 -0.57 O HETATM 635 H7 GLU A 1 11.677 2.458 15.359 1.00 0.04 H HETATM 636 H8 GLU A 1 13.241 3.299 15.627 1.00 0.04 H HETATM 637 H5 GLU A 1 12.159 4.380 13.802 1.00 0.04 H HETATM 638 H6 GLU A 1 13.512 3.410 13.128 1.00 0.04 H HETATM 639 H4 GLU A 1 10.566 2.612 13.116 1.00 0.11 H HETATM 640 H1 GLU A 1 12.074 0.766 13.131 1.00 0.20 H HETATM 641 H2 GLU A 1 12.891 1.357 11.830 1.00 0.20 H HETATM 642 H3 GLU A 1 11.321 0.889 11.672 1.00 0.20 H CONECT 506 507 640 641 642 CONECT 507 506 508 630 639 CONECT 508 507 509 510 CONECT 509 508 CONECT 510 508 511 629 CONECT 511 510 512 619 628 CONECT 512 511 513 514 CONECT 513 512 CONECT 514 512 515 611 CONECT 515 514 516 609 618 CONECT 516 515 517 518 CONECT 517 516 CONECT 518 516 519 601 CONECT 519 518 520 599 608 CONECT 520 519 521 522 CONECT 521 520 CONECT 522 520 523 591 CONECT 523 522 524 589 598 CONECT 524 523 525 526 CONECT 525 524 CONECT 526 524 527 581 CONECT 527 526 528 579 588 CONECT 528 527 529 530 CONECT 529 528 CONECT 530 528 531 578 CONECT 531 530 532 562 577 CONECT 532 531 533 534 CONECT 533 532 CONECT 534 532 535 561 CONECT 535 534 536 551 560 CONECT 536 535 537 538 CONECT 537 536 CONECT 538 536 539 550 CONECT 539 538 540 543 549 CONECT 540 539 541 542 CONECT 541 540 CONECT 542 540 CONECT 543 539 544 547 548 CONECT 544 543 545 546 CONECT 545 544 CONECT 546 544 CONECT 547 543 CONECT 548 543 CONECT 549 539 CONECT 550 538 CONECT 551 535 552 558 559 CONECT 552 551 553 556 557 CONECT 553 552 554 555 CONECT 554 553 CONECT 555 553 CONECT 556 552 CONECT 557 552 CONECT 558 551 CONECT 559 551 CONECT 560 535 CONECT 561 534 CONECT 562 531 563 575 576 CONECT 563 562 564 568 CONECT 564 563 565 574 CONECT 565 564 566 573 CONECT 566 565 567 571 CONECT 567 566 568 570 CONECT 568 563 567 569 CONECT 569 568 CONECT 570 567 CONECT 571 566 572 CONECT 572 571 CONECT 573 565 CONECT 574 564 CONECT 575 562 CONECT 576 562 CONECT 577 531 CONECT 578 530 CONECT 579 527 580 586 587 CONECT 580 579 581 584 585 CONECT 581 526 580 582 583 CONECT 582 581 CONECT 583 581 CONECT 584 580 CONECT 585 580 CONECT 586 579 CONECT 587 579 CONECT 588 527 CONECT 589 523 590 596 597 CONECT 590 589 591 594 595 CONECT 591 522 590 592 593 CONECT 592 591 CONECT 593 591 CONECT 594 590 CONECT 595 590 CONECT 596 589 CONECT 597 589 CONECT 598 523 CONECT 599 519 600 606 607 CONECT 600 599 601 604 605 CONECT 601 518 600 602 603 CONECT 602 601 CONECT 603 601 CONECT 604 600 CONECT 605 600 CONECT 606 599 CONECT 607 599 CONECT 608 519 CONECT 609 515 610 616 617 CONECT 610 609 611 614 615 CONECT 611 514 610 612 613 CONECT 612 611 CONECT 613 611 CONECT 614 610 CONECT 615 610 CONECT 616 609 CONECT 617 609 CONECT 618 515 CONECT 619 511 620 626 627 CONECT 620 619 621 624 625 CONECT 621 620 622 623 CONECT 622 621 CONECT 623 621 CONECT 624 620 CONECT 625 620 CONECT 626 619 CONECT 627 619 CONECT 628 511 CONECT 629 510 CONECT 630 507 631 637 638 CONECT 631 630 632 635 636 CONECT 632 631 633 634 CONECT 633 632 CONECT 634 632 CONECT 635 631 CONECT 636 631 CONECT 637 630 CONECT 638 630 CONECT 639 507 CONECT 640 506 CONECT 641 506 CONECT 642 506 MASTER 0 0 0 0 0 0 0 0 641 1 137 3 END
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Related entries of code: 2jo9
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PDB Code
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1bmb
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9-mer
1f90
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9-mer
1fzk
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PDBbind
9-mer
1fzo
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9-mer
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1g7p
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9-mer
1h24
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PDBbind
9-mer
1inq
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9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
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PDBbind
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1kl3
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PDBbind
9-mer
1kl5
RCSB PDB
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9-mer
1lb6
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1mfg
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PDBbind
9-mer
1mpa
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1nlo
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PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
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PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
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2h6q
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PDBbind
9-mer
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2jup
RCSB PDB
PDBbind
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2kgi
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PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
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PDBbind
9-mer
2qt5
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PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
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9-mer
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9-mer
2ymt
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PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
3bgm
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PDBbind
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3bze
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PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
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PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
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3drg
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3ery
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3fbr
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PDBbind
9-mer
3fn0
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3ft2
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PDBbind
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3ft3
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3ft4
RCSB PDB
PDBbind
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3gl6
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PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
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3lqi
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PDBbind
9-mer
3lqj
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PDBbind
9-mer
3mxc
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PDBbind
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3mxy
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PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
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3obq
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PDBbind
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3obu
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PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
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PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
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3rwc
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PDBbind
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3rwe
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3rwf
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9-mer
3rwg
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PDBbind
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3soq
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PDBbind
9-mer
3sou
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3sov
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PDBbind
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3sow
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9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
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PDBbind
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3tfk
RCSB PDB
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3tpu
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4bt9
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4btb
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PDBbind
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4cdr
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4ezt
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9-mer
4fmn
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PDBbind
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4i80
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PDBbind
9-mer
4iho
RCSB PDB
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9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
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PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
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PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
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PDBbind
9-mer
4pg9
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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
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PDBbind
9-mer
5e4w
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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
2jo9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Itchy E3 ubiquitin protein ligase
Ligand Name
9-mer
EC.Number
E.C.6.3.2.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=52.1uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) Structure Vol. 15: pp. 473-483
Ligand Properties
Formula
C
4
8
H
6
6
N
9
O
1
9
Molecular Weight
1073.090
Exact Mass
1072.450
No. of atoms
142
No. of bonds
146
Polar Surface Area
432.01
LOGP Value
1.68 (
Computed with XLOGP3
)
-2.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 30
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 5
Canonical SMILES
OC(=O)CC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCC(=O)O)Cc1ccc(cc1)O)NC(=O)[C@H](CCC(=O)O)[NH3+]
InChI String
InChI=1S/C48H65N9O19/c49-27(13-16-36(59)60)40(67)51-29(15-18-38(63)64)44(71)55-20-2-6-33(55)46(73)57-22-4-8-35(57)47(74)56-21-3-7-34(56)45(72)54-19-1-5-32(54)43(70)52-30(23-25-9-11-26(58)12-10-25)42(69)50-28(14-17-37(61)62)41(68)53-31(48(75)76)24-39(65)66/h9-12,27-35,58H,1-8,13-24,49H2,(H,50,69)(H,51,67)(H,52,70)(H,53,68)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,75,76)/p+1/t27-,28-,29-,30-,31-,32-,33-,34-,35-/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):
P13285
Q8C863
Entrez Gene ID
NCBI Entrez Gene ID:
3783751
3783760
16396
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
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