Browse entries in the PDBbind-CN Database
HEADER 1K9Q_COMPLEX COMPND 1K9Q_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 40 PHE GLU ILE PRO ASP ASP VAL PRO LEU PRO ALA GLY TRP SEQRES 2 A 40 GLU MET ALA LYS THR SER SER GLY GLN ARG TYR PHE LEU SEQRES 3 A 40 ASN HIS ILE ASP GLN THR THR THR TRP GLN ASP PRO ARG SEQRES 4 A 40 LYS HET GLY A 41 99 ATOM 1 N PHE A 5 10.549 -4.761 -3.586 1.00 0.00 N ATOM 2 CA PHE A 5 10.834 -6.224 -3.536 1.00 0.00 C ATOM 3 C PHE A 5 10.040 -6.879 -2.404 1.00 0.00 C ATOM 4 O PHE A 5 9.299 -6.227 -1.694 1.00 0.00 O ATOM 5 CB PHE A 5 12.336 -6.325 -3.266 1.00 0.00 C ATOM 6 CG PHE A 5 13.071 -6.508 -4.572 1.00 0.00 C ATOM 7 CD1 PHE A 5 12.941 -7.705 -5.287 1.00 0.00 C ATOM 8 CD2 PHE A 5 13.884 -5.482 -5.068 1.00 0.00 C ATOM 9 CE1 PHE A 5 13.623 -7.875 -6.498 1.00 0.00 C ATOM 10 CE2 PHE A 5 14.567 -5.652 -6.278 1.00 0.00 C ATOM 11 CZ PHE A 5 14.436 -6.849 -6.993 1.00 0.00 C ATOM 12 HA PHE A 5 10.550 -6.732 -4.458 1.00 0.00 H ATOM 13 HB2 PHE A 5 12.680 -5.412 -2.780 1.00 0.00 H ATOM 14 HB3 PHE A 5 12.532 -7.178 -2.616 1.00 0.00 H ATOM 15 HD2 PHE A 5 13.985 -4.550 -4.512 1.00 0.00 H ATOM 16 HE2 PHE A 5 15.200 -4.853 -6.663 1.00 0.00 H ATOM 17 HZ PHE A 5 14.967 -6.982 -7.935 1.00 0.00 H ATOM 18 HE1 PHE A 5 13.521 -8.806 -7.055 1.00 0.00 H ATOM 19 HD1 PHE A 5 12.309 -8.505 -4.901 1.00 0.00 H ATOM 20 HN3 PHE A 5 10.821 -4.325 -2.682 1.00 0.00 H ATOM 21 HN2 PHE A 5 9.533 -4.612 -3.752 1.00 0.00 H ATOM 22 HN1 PHE A 5 11.095 -4.329 -4.359 1.00 0.00 H ATOM 23 N GLU A 6 10.187 -8.165 -2.230 1.00 0.00 N ATOM 24 CA GLU A 6 9.439 -8.860 -1.144 1.00 0.00 C ATOM 25 C GLU A 6 7.942 -8.560 -1.253 1.00 0.00 C ATOM 26 O GLU A 6 7.334 -8.041 -0.338 1.00 0.00 O ATOM 27 CB GLU A 6 10.006 -8.290 0.157 1.00 0.00 C ATOM 28 CG GLU A 6 10.885 -9.344 0.835 1.00 0.00 C ATOM 29 CD GLU A 6 12.357 -9.042 0.549 1.00 0.00 C ATOM 30 OE1 GLU A 6 12.927 -8.237 1.269 1.00 0.00 O ATOM 31 OE2 GLU A 6 12.890 -9.621 -0.383 1.00 0.00 O ATOM 32 HA GLU A 6 9.549 -9.943 -1.197 1.00 0.00 H ATOM 33 HB2 GLU A 6 10.603 -7.405 -0.063 1.00 0.00 H ATOM 34 HB3 GLU A 6 9.187 -8.017 0.822 1.00 0.00 H ATOM 35 HG2 GLU A 6 10.712 -9.324 1.911 1.00 0.00 H ATOM 36 HG3 GLU A 6 10.634 -10.331 0.446 1.00 0.00 H ATOM 37 H GLU A 6 10.826 -8.704 -2.849 1.00 0.00 H ATOM 38 N ILE A 7 7.344 -8.882 -2.368 1.00 0.00 N ATOM 39 CA ILE A 7 5.885 -8.613 -2.535 1.00 0.00 C ATOM 40 C ILE A 7 5.351 -9.343 -3.776 1.00 0.00 C ATOM 41 O ILE A 7 5.043 -8.720 -4.773 1.00 0.00 O ATOM 42 CB ILE A 7 5.781 -7.098 -2.711 1.00 0.00 C ATOM 43 CG1 ILE A 7 4.310 -6.702 -2.860 1.00 0.00 C ATOM 44 CG2 ILE A 7 6.554 -6.672 -3.961 1.00 0.00 C ATOM 45 CD1 ILE A 7 3.609 -6.824 -1.506 1.00 0.00 C ATOM 46 HA ILE A 7 5.298 -8.964 -1.686 1.00 0.00 H ATOM 47 HB ILE A 7 6.205 -6.602 -1.838 1.00 0.00 H ATOM 48 HG12 ILE A 7 4.244 -5.672 -3.212 1.00 0.00 H ATOM 49 HG13 ILE A 7 3.827 -7.362 -3.580 1.00 0.00 H ATOM 50 HD11 ILE A 7 3.675 -7.854 -1.156 1.00 0.00 H ATOM 51 HD12 ILE A 7 4.093 -6.163 -0.787 1.00 0.00 H ATOM 52 HD13 ILE A 7 2.562 -6.542 -1.614 1.00 0.00 H ATOM 53 HG21 ILE A 7 7.601 -6.954 -3.852 1.00 0.00 H ATOM 54 HG22 ILE A 7 6.132 -7.169 -4.835 1.00 0.00 H ATOM 55 HG23 ILE A 7 6.478 -5.592 -4.083 1.00 0.00 H ATOM 56 H ILE A 7 7.883 -9.325 -3.139 1.00 0.00 H ATOM 57 N PRO A 8 5.260 -10.648 -3.678 1.00 0.00 N ATOM 58 CA PRO A 8 4.756 -11.457 -4.815 1.00 0.00 C ATOM 59 C PRO A 8 3.246 -11.270 -4.976 1.00 0.00 C ATOM 60 O PRO A 8 2.609 -10.587 -4.198 1.00 0.00 O ATOM 61 CB PRO A 8 5.087 -12.891 -4.410 1.00 0.00 C ATOM 62 CG PRO A 8 5.159 -12.866 -2.916 1.00 0.00 C ATOM 63 CD PRO A 8 5.610 -11.483 -2.518 1.00 0.00 C ATOM 64 HA PRO A 8 5.200 -11.177 -5.770 1.00 0.00 H ATOM 65 HD3 PRO A 8 5.085 -11.146 -1.625 1.00 0.00 H ATOM 66 HD2 PRO A 8 6.684 -11.463 -2.336 1.00 0.00 H ATOM 67 HG3 PRO A 8 5.874 -13.609 -2.563 1.00 0.00 H ATOM 68 HG2 PRO A 8 4.178 -13.077 -2.490 1.00 0.00 H ATOM 69 HB2 PRO A 8 4.306 -13.574 -4.745 1.00 0.00 H ATOM 70 HB3 PRO A 8 6.043 -13.198 -4.835 1.00 0.00 H ATOM 71 N ASP A 9 2.666 -11.872 -5.978 1.00 0.00 N ATOM 72 CA ASP A 9 1.197 -11.728 -6.187 1.00 0.00 C ATOM 73 C ASP A 9 0.472 -13.002 -5.747 1.00 0.00 C ATOM 74 O ASP A 9 -0.553 -13.363 -6.288 1.00 0.00 O ATOM 75 CB ASP A 9 1.030 -11.509 -7.691 1.00 0.00 C ATOM 76 CG ASP A 9 1.446 -10.080 -8.048 1.00 0.00 C ATOM 77 OD1 ASP A 9 2.363 -9.576 -7.418 1.00 0.00 O ATOM 78 OD2 ASP A 9 0.843 -9.514 -8.944 1.00 0.00 O ATOM 79 HA ASP A 9 0.777 -10.907 -5.606 1.00 0.00 H ATOM 80 HB2 ASP A 9 1.657 -12.217 -8.233 1.00 0.00 H ATOM 81 HB3 ASP A 9 -0.013 -11.664 -7.967 1.00 0.00 H ATOM 82 H ASP A 9 3.229 -12.453 -6.631 1.00 0.00 H ATOM 83 N ASP A 10 0.999 -13.687 -4.768 1.00 0.00 N ATOM 84 CA ASP A 10 0.340 -14.938 -4.294 1.00 0.00 C ATOM 85 C ASP A 10 -1.058 -14.625 -3.751 1.00 0.00 C ATOM 86 O ASP A 10 -1.934 -15.466 -3.747 1.00 0.00 O ATOM 87 CB ASP A 10 1.244 -15.464 -3.179 1.00 0.00 C ATOM 88 CG ASP A 10 1.486 -16.960 -3.383 1.00 0.00 C ATOM 89 OD1 ASP A 10 1.534 -17.383 -4.525 1.00 0.00 O ATOM 90 OD2 ASP A 10 1.621 -17.659 -2.392 1.00 0.00 O ATOM 91 HA ASP A 10 0.214 -15.668 -5.094 1.00 0.00 H ATOM 92 HB2 ASP A 10 2.197 -14.935 -3.203 1.00 0.00 H ATOM 93 HB3 ASP A 10 0.764 -15.301 -2.214 1.00 0.00 H ATOM 94 H ASP A 10 1.878 -13.360 -4.319 1.00 0.00 H ATOM 95 N VAL A 11 -1.271 -13.422 -3.293 1.00 0.00 N ATOM 96 CA VAL A 11 -2.612 -13.057 -2.752 1.00 0.00 C ATOM 97 C VAL A 11 -2.977 -11.625 -3.162 1.00 0.00 C ATOM 98 O VAL A 11 -2.119 -10.768 -3.233 1.00 0.00 O ATOM 99 CB VAL A 11 -2.466 -13.159 -1.233 1.00 0.00 C ATOM 100 CG1 VAL A 11 -1.344 -12.230 -0.765 1.00 0.00 C ATOM 101 CG2 VAL A 11 -3.780 -12.748 -0.566 1.00 0.00 C ATOM 102 HA VAL A 11 -3.401 -13.706 -3.131 1.00 0.00 H ATOM 103 HB VAL A 11 -2.225 -14.186 -0.959 1.00 0.00 H ATOM 104 HG11 VAL A 11 -0.409 -12.524 -1.241 1.00 0.00 H ATOM 105 HG12 VAL A 11 -1.586 -11.203 -1.039 1.00 0.00 H ATOM 106 HG13 VAL A 11 -1.241 -12.304 0.318 1.00 0.00 H ATOM 107 HG21 VAL A 11 -4.020 -11.721 -0.841 1.00 0.00 H ATOM 108 HG22 VAL A 11 -4.578 -13.410 -0.900 1.00 0.00 H ATOM 109 HG23 VAL A 11 -3.675 -12.821 0.516 1.00 0.00 H ATOM 110 H VAL A 11 -0.506 -12.718 -3.305 1.00 0.00 H ATOM 111 N PRO A 12 -4.245 -11.409 -3.423 1.00 0.00 N ATOM 112 CA PRO A 12 -4.713 -10.060 -3.831 1.00 0.00 C ATOM 113 C PRO A 12 -4.675 -9.105 -2.633 1.00 0.00 C ATOM 114 O PRO A 12 -3.978 -9.336 -1.666 1.00 0.00 O ATOM 115 CB PRO A 12 -6.147 -10.305 -4.295 1.00 0.00 C ATOM 116 CG PRO A 12 -6.580 -11.534 -3.569 1.00 0.00 C ATOM 117 CD PRO A 12 -5.349 -12.379 -3.366 1.00 0.00 C ATOM 118 HA PRO A 12 -4.097 -9.602 -4.605 1.00 0.00 H ATOM 119 HD3 PRO A 12 -5.377 -12.880 -2.398 1.00 0.00 H ATOM 120 HD2 PRO A 12 -5.254 -13.123 -4.157 1.00 0.00 H ATOM 121 HG3 PRO A 12 -7.316 -12.079 -4.160 1.00 0.00 H ATOM 122 HG2 PRO A 12 -7.015 -11.267 -2.606 1.00 0.00 H ATOM 123 HB2 PRO A 12 -6.785 -9.460 -4.034 1.00 0.00 H ATOM 124 HB3 PRO A 12 -6.180 -10.464 -5.373 1.00 0.00 H ATOM 125 N LEU A 13 -5.419 -8.034 -2.689 1.00 0.00 N ATOM 126 CA LEU A 13 -5.423 -7.069 -1.552 1.00 0.00 C ATOM 127 C LEU A 13 -6.672 -7.273 -0.688 1.00 0.00 C ATOM 128 O LEU A 13 -7.457 -8.165 -0.942 1.00 0.00 O ATOM 129 CB LEU A 13 -5.444 -5.688 -2.206 1.00 0.00 C ATOM 130 CG LEU A 13 -4.108 -4.982 -1.959 1.00 0.00 C ATOM 131 CD1 LEU A 13 -3.347 -4.858 -3.279 1.00 0.00 C ATOM 132 CD2 LEU A 13 -4.367 -3.586 -1.389 1.00 0.00 C ATOM 133 HA LEU A 13 -4.561 -7.198 -0.898 1.00 0.00 H ATOM 134 HB2 LEU A 13 -5.604 -5.797 -3.279 1.00 0.00 H ATOM 135 HB3 LEU A 13 -6.252 -5.096 -1.777 1.00 0.00 H ATOM 136 HG LEU A 13 -3.516 -5.561 -1.250 1.00 0.00 H ATOM 137 HD21 LEU A 13 -4.958 -3.009 -2.100 1.00 0.00 H ATOM 138 HD22 LEU A 13 -4.912 -3.674 -0.449 1.00 0.00 H ATOM 139 HD23 LEU A 13 -3.415 -3.084 -1.214 1.00 0.00 H ATOM 140 HD11 LEU A 13 -3.164 -5.852 -3.686 1.00 0.00 H ATOM 141 HD12 LEU A 13 -3.940 -4.278 -3.986 1.00 0.00 H ATOM 142 HD13 LEU A 13 -2.396 -4.355 -3.103 1.00 0.00 H ATOM 143 H LEU A 13 -6.009 -7.854 -3.526 1.00 0.00 H ATOM 144 N PRO A 14 -6.820 -6.438 0.312 1.00 0.00 N ATOM 145 CA PRO A 14 -7.985 -6.537 1.214 1.00 0.00 C ATOM 146 C PRO A 14 -9.164 -5.733 0.654 1.00 0.00 C ATOM 147 O PRO A 14 -8.987 -4.800 -0.103 1.00 0.00 O ATOM 148 CB PRO A 14 -7.472 -5.923 2.512 1.00 0.00 C ATOM 149 CG PRO A 14 -6.349 -5.004 2.117 1.00 0.00 C ATOM 150 CD PRO A 14 -5.934 -5.335 0.702 1.00 0.00 C ATOM 151 HA PRO A 14 -8.350 -7.556 1.342 1.00 0.00 H ATOM 152 HD3 PRO A 14 -6.076 -4.476 0.047 1.00 0.00 H ATOM 153 HD2 PRO A 14 -4.890 -5.648 0.669 1.00 0.00 H ATOM 154 HG3 PRO A 14 -5.504 -5.145 2.791 1.00 0.00 H ATOM 155 HG2 PRO A 14 -6.685 -3.968 2.169 1.00 0.00 H ATOM 156 HB2 PRO A 14 -8.265 -5.362 3.006 1.00 0.00 H ATOM 157 HB3 PRO A 14 -7.107 -6.702 3.182 1.00 0.00 H ATOM 158 N ALA A 15 -10.365 -6.092 1.020 1.00 0.00 N ATOM 159 CA ALA A 15 -11.554 -5.349 0.508 1.00 0.00 C ATOM 160 C ALA A 15 -11.584 -3.932 1.087 1.00 0.00 C ATOM 161 O ALA A 15 -11.026 -3.667 2.133 1.00 0.00 O ATOM 162 CB ALA A 15 -12.761 -6.153 0.992 1.00 0.00 C ATOM 163 HA ALA A 15 -11.541 -5.246 -0.577 1.00 0.00 H ATOM 164 HB1 ALA A 15 -12.711 -7.163 0.584 1.00 0.00 H ATOM 165 HB2 ALA A 15 -12.753 -6.199 2.081 1.00 0.00 H ATOM 166 HB3 ALA A 15 -13.677 -5.669 0.654 1.00 0.00 H ATOM 167 H ALA A 15 -10.493 -6.895 1.668 1.00 0.00 H ATOM 168 N GLY A 16 -12.231 -3.018 0.413 1.00 0.00 N ATOM 169 CA GLY A 16 -12.292 -1.619 0.928 1.00 0.00 C ATOM 170 C GLY A 16 -10.874 -1.103 1.168 1.00 0.00 C ATOM 171 O GLY A 16 -10.574 -0.537 2.201 1.00 0.00 O ATOM 172 HA3 GLY A 16 -12.849 -1.600 1.865 1.00 0.00 H ATOM 173 HA2 GLY A 16 -12.791 -0.984 0.197 1.00 0.00 H ATOM 174 H GLY A 16 -12.702 -3.265 -0.480 1.00 0.00 H ATOM 175 N TRP A 17 -9.994 -1.300 0.224 1.00 0.00 N ATOM 176 CA TRP A 17 -8.592 -0.827 0.407 1.00 0.00 C ATOM 177 C TRP A 17 -7.964 -0.462 -0.940 1.00 0.00 C ATOM 178 O TRP A 17 -7.447 -1.310 -1.640 1.00 0.00 O ATOM 179 CB TRP A 17 -7.855 -2.018 1.019 1.00 0.00 C ATOM 180 CG TRP A 17 -7.660 -1.796 2.484 1.00 0.00 C ATOM 181 CD1 TRP A 17 -8.550 -2.123 3.449 1.00 0.00 C ATOM 182 CD2 TRP A 17 -6.512 -1.219 3.166 1.00 0.00 C ATOM 183 NE1 TRP A 17 -8.021 -1.780 4.680 1.00 0.00 N ATOM 184 CE2 TRP A 17 -6.765 -1.218 4.557 1.00 0.00 C ATOM 185 CE3 TRP A 17 -5.287 -0.700 2.712 1.00 0.00 C ATOM 186 CZ2 TRP A 17 -5.833 -0.719 5.468 1.00 0.00 C ATOM 187 CZ3 TRP A 17 -4.348 -0.197 3.626 1.00 0.00 C ATOM 188 CH2 TRP A 17 -4.620 -0.206 5.001 1.00 0.00 C ATOM 189 HA TRP A 17 -8.542 0.064 1.033 1.00 0.00 H ATOM 190 HB2 TRP A 17 -8.441 -2.924 0.865 1.00 0.00 H ATOM 191 HB3 TRP A 17 -6.884 -2.129 0.537 1.00 0.00 H ATOM 192 HE1 TRP A 17 -8.509 -1.927 5.587 1.00 0.00 H ATOM 193 HD1 TRP A 17 -9.525 -2.582 3.283 1.00 0.00 H ATOM 194 HZ2 TRP A 17 -6.050 -0.729 6.536 1.00 0.00 H ATOM 195 HH2 TRP A 17 -3.886 0.187 5.705 1.00 0.00 H ATOM 196 HZ3 TRP A 17 -3.401 0.203 3.264 1.00 0.00 H ATOM 197 HE3 TRP A 17 -5.065 -0.688 1.645 1.00 0.00 H ATOM 198 H TRP A 17 -10.270 -1.786 -0.653 1.00 0.00 H ATOM 199 N GLU A 18 -7.981 0.791 -1.304 1.00 0.00 N ATOM 200 CA GLU A 18 -7.356 1.187 -2.599 1.00 0.00 C ATOM 201 C GLU A 18 -5.840 1.217 -2.428 1.00 0.00 C ATOM 202 O GLU A 18 -5.319 0.887 -1.382 1.00 0.00 O ATOM 203 CB GLU A 18 -7.884 2.594 -2.904 1.00 0.00 C ATOM 204 CG GLU A 18 -7.789 2.865 -4.408 1.00 0.00 C ATOM 205 CD GLU A 18 -9.183 3.161 -4.964 1.00 0.00 C ATOM 206 OE1 GLU A 18 -9.820 4.072 -4.457 1.00 0.00 O ATOM 207 OE2 GLU A 18 -9.591 2.474 -5.885 1.00 0.00 O ATOM 208 HA GLU A 18 -7.594 0.494 -3.406 1.00 0.00 H ATOM 209 HB2 GLU A 18 -8.924 2.668 -2.587 1.00 0.00 H ATOM 210 HB3 GLU A 18 -7.288 3.330 -2.364 1.00 0.00 H ATOM 211 HG2 GLU A 18 -7.139 3.722 -4.582 1.00 0.00 H ATOM 212 HG3 GLU A 18 -7.376 1.990 -4.909 1.00 0.00 H ATOM 213 H GLU A 18 -8.427 1.508 -0.696 1.00 0.00 H ATOM 214 N MET A 19 -5.128 1.625 -3.434 1.00 0.00 N ATOM 215 CA MET A 19 -3.651 1.696 -3.314 1.00 0.00 C ATOM 216 C MET A 19 -3.134 2.853 -4.151 1.00 0.00 C ATOM 217 O MET A 19 -3.853 3.430 -4.942 1.00 0.00 O ATOM 218 CB MET A 19 -3.126 0.374 -3.847 1.00 0.00 C ATOM 219 CG MET A 19 -3.597 0.164 -5.288 1.00 0.00 C ATOM 220 SD MET A 19 -5.206 -0.671 -5.290 1.00 0.00 S ATOM 221 CE MET A 19 -4.700 -2.155 -4.384 1.00 0.00 C ATOM 222 HA MET A 19 -3.327 1.859 -2.286 1.00 0.00 H ATOM 223 HB2 MET A 19 -2.036 0.382 -3.821 1.00 0.00 H ATOM 224 HB3 MET A 19 -3.497 -0.439 -3.224 1.00 0.00 H ATOM 225 HG2 MET A 19 -2.870 -0.448 -5.821 1.00 0.00 H ATOM 226 HG3 MET A 19 -3.689 1.130 -5.784 1.00 0.00 H ATOM 227 HE1 MET A 19 -3.912 -2.666 -4.938 1.00 0.00 H ATOM 228 HE2 MET A 19 -4.328 -1.869 -3.400 1.00 0.00 H ATOM 229 HE3 MET A 19 -5.556 -2.820 -4.271 1.00 0.00 H ATOM 230 H MET A 19 -5.592 1.902 -4.323 1.00 0.00 H ATOM 231 N ALA A 20 -1.897 3.208 -3.981 1.00 0.00 N ATOM 232 CA ALA A 20 -1.346 4.339 -4.765 1.00 0.00 C ATOM 233 C ALA A 20 0.162 4.449 -4.526 1.00 0.00 C ATOM 234 O ALA A 20 0.661 4.105 -3.472 1.00 0.00 O ATOM 235 CB ALA A 20 -2.098 5.563 -4.234 1.00 0.00 C ATOM 236 HA ALA A 20 -1.474 4.226 -5.842 1.00 0.00 H ATOM 237 HB1 ALA A 20 -3.167 5.431 -4.400 1.00 0.00 H ATOM 238 HB2 ALA A 20 -1.905 5.671 -3.167 1.00 0.00 H ATOM 239 HB3 ALA A 20 -1.755 6.455 -4.759 1.00 0.00 H ATOM 240 H ALA A 20 -1.296 2.702 -3.299 1.00 0.00 H ATOM 241 N LYS A 21 0.897 4.907 -5.502 1.00 0.00 N ATOM 242 CA LYS A 21 2.372 5.018 -5.326 1.00 0.00 C ATOM 243 C LYS A 21 2.771 6.465 -5.034 1.00 0.00 C ATOM 244 O LYS A 21 2.415 7.377 -5.755 1.00 0.00 O ATOM 245 CB LYS A 21 2.970 4.547 -6.656 1.00 0.00 C ATOM 246 CG LYS A 21 2.545 5.496 -7.780 1.00 0.00 C ATOM 247 CD LYS A 21 3.744 6.342 -8.214 1.00 0.00 C ATOM 248 CE LYS A 21 3.817 6.378 -9.741 1.00 0.00 C ATOM 249 NZ LYS A 21 3.504 7.789 -10.105 1.00 0.00 N ATOM 250 HA LYS A 21 2.730 4.422 -4.486 1.00 0.00 H ATOM 251 HB2 LYS A 21 4.057 4.538 -6.581 1.00 0.00 H ATOM 252 HB3 LYS A 21 2.614 3.541 -6.877 1.00 0.00 H ATOM 253 HG2 LYS A 21 2.183 4.916 -8.629 1.00 0.00 H ATOM 254 HG3 LYS A 21 1.749 6.149 -7.423 1.00 0.00 H ATOM 255 HD2 LYS A 21 3.631 7.356 -7.831 1.00 0.00 H ATOM 256 HD3 LYS A 21 4.660 5.905 -7.816 1.00 0.00 H ATOM 257 HE2 LYS A 21 3.085 5.698 -10.177 1.00 0.00 H ATOM 258 HE3 LYS A 21 4.815 6.105 -10.084 1.00 0.00 H ATOM 259 HZ1 LYS A 21 2.554 8.033 -9.758 1.00 0.00 H ATOM 260 HZ2 LYS A 21 4.206 8.422 -9.670 1.00 0.00 H ATOM 261 HZ3 LYS A 21 3.534 7.894 -11.139 1.00 0.00 H ATOM 262 H LYS A 21 0.455 5.193 -6.399 1.00 0.00 H ATOM 263 N THR A 22 3.507 6.683 -3.980 1.00 0.00 N ATOM 264 CA THR A 22 3.926 8.074 -3.642 1.00 0.00 C ATOM 265 C THR A 22 5.437 8.246 -3.839 1.00 0.00 C ATOM 266 O THR A 22 6.030 9.186 -3.347 1.00 0.00 O ATOM 267 CB THR A 22 3.552 8.254 -2.170 1.00 0.00 C ATOM 268 OG1 THR A 22 3.856 9.582 -1.765 1.00 0.00 O ATOM 269 CG2 THR A 22 4.342 7.264 -1.315 1.00 0.00 C ATOM 270 HA THR A 22 3.442 8.813 -4.281 1.00 0.00 H ATOM 271 HB THR A 22 2.486 8.069 -2.041 1.00 0.00 H ATOM 272 HG1 THR A 22 4.825 9.748 -1.883 1.00 0.00 H ATOM 273 HG23 THR A 22 4.107 6.247 -1.628 1.00 0.00 H ATOM 274 HG21 THR A 22 5.409 7.447 -1.442 1.00 0.00 H ATOM 275 HG22 THR A 22 4.072 7.395 -0.267 1.00 0.00 H ATOM 276 H THR A 22 3.801 5.889 -3.376 1.00 0.00 H ATOM 277 N SER A 23 6.067 7.351 -4.553 1.00 0.00 N ATOM 278 CA SER A 23 7.539 7.477 -4.775 1.00 0.00 C ATOM 279 C SER A 23 8.038 6.375 -5.715 1.00 0.00 C ATOM 280 O SER A 23 7.294 5.848 -6.520 1.00 0.00 O ATOM 281 CB SER A 23 8.167 7.321 -3.389 1.00 0.00 C ATOM 282 OG SER A 23 9.037 8.415 -3.138 1.00 0.00 O ATOM 283 HA SER A 23 7.801 8.428 -5.238 1.00 0.00 H ATOM 284 HB2 SER A 23 8.732 6.390 -3.349 1.00 0.00 H ATOM 285 HB3 SER A 23 7.381 7.301 -2.634 1.00 0.00 H ATOM 286 HG SER A 23 8.522 9.260 -3.175 1.00 0.00 H ATOM 287 H SER A 23 5.544 6.552 -4.966 1.00 0.00 H ATOM 288 N SER A 24 9.292 6.026 -5.619 1.00 0.00 N ATOM 289 CA SER A 24 9.845 4.959 -6.505 1.00 0.00 C ATOM 290 C SER A 24 9.209 3.609 -6.167 1.00 0.00 C ATOM 291 O SER A 24 9.823 2.756 -5.557 1.00 0.00 O ATOM 292 CB SER A 24 11.344 4.936 -6.209 1.00 0.00 C ATOM 293 OG SER A 24 12.053 5.492 -7.306 1.00 0.00 O ATOM 294 HA SER A 24 9.641 5.150 -7.559 1.00 0.00 H ATOM 295 HB2 SER A 24 11.667 3.907 -6.051 1.00 0.00 H ATOM 296 HB3 SER A 24 11.546 5.521 -5.312 1.00 0.00 H ATOM 297 HG SER A 24 13.024 5.476 -7.112 1.00 0.00 H ATOM 298 H SER A 24 9.908 6.493 -4.923 1.00 0.00 H ATOM 299 N GLY A 25 7.982 3.412 -6.557 1.00 0.00 N ATOM 300 CA GLY A 25 7.299 2.122 -6.258 1.00 0.00 C ATOM 301 C GLY A 25 6.702 2.166 -4.851 1.00 0.00 C ATOM 302 O GLY A 25 6.326 1.151 -4.299 1.00 0.00 O ATOM 303 HA3 GLY A 25 8.020 1.307 -6.320 1.00 0.00 H ATOM 304 HA2 GLY A 25 6.503 1.957 -6.984 1.00 0.00 H ATOM 305 H GLY A 25 7.478 4.157 -7.079 1.00 0.00 H ATOM 306 N GLN A 26 6.603 3.327 -4.261 1.00 0.00 N ATOM 307 CA GLN A 26 6.022 3.410 -2.894 1.00 0.00 C ATOM 308 C GLN A 26 4.515 3.162 -2.957 1.00 0.00 C ATOM 309 O GLN A 26 3.718 4.023 -2.638 1.00 0.00 O ATOM 310 CB GLN A 26 6.320 4.832 -2.417 1.00 0.00 C ATOM 311 CG GLN A 26 6.314 4.865 -0.887 1.00 0.00 C ATOM 312 CD GLN A 26 7.626 4.283 -0.358 1.00 0.00 C ATOM 313 OE1 GLN A 26 7.631 3.254 0.287 1.00 0.00 O ATOM 314 NE2 GLN A 26 8.747 4.903 -0.606 1.00 0.00 N ATOM 315 HA GLN A 26 6.441 2.666 -2.216 1.00 0.00 H ATOM 316 HB2 GLN A 26 7.298 5.142 -2.784 1.00 0.00 H ATOM 317 HB3 GLN A 26 5.558 5.512 -2.799 1.00 0.00 H ATOM 318 HG2 GLN A 26 6.210 5.895 -0.546 1.00 0.00 H ATOM 319 HG3 GLN A 26 5.478 4.274 -0.514 1.00 0.00 H ATOM 320 HE22 GLN A 26 8.743 5.784 -1.158 1.00 0.00 H ATOM 321 HE21 GLN A 26 9.645 4.516 -0.251 1.00 0.00 H ATOM 322 H GLN A 26 6.928 4.189 -4.744 1.00 0.00 H ATOM 323 N ARG A 27 4.124 1.985 -3.375 1.00 0.00 N ATOM 324 CA ARG A 27 2.665 1.654 -3.470 1.00 0.00 C ATOM 325 C ARG A 27 2.022 1.674 -2.087 1.00 0.00 C ATOM 326 O ARG A 27 1.704 0.639 -1.533 1.00 0.00 O ATOM 327 CB ARG A 27 2.573 0.230 -4.045 1.00 0.00 C ATOM 328 CG ARG A 27 3.557 -0.693 -3.323 1.00 0.00 C ATOM 329 CD ARG A 27 2.850 -1.979 -2.915 1.00 0.00 C ATOM 330 NE ARG A 27 3.612 -3.070 -3.593 1.00 0.00 N ATOM 331 CZ ARG A 27 3.447 -3.314 -4.873 1.00 0.00 C ATOM 332 NH1 ARG A 27 2.609 -2.608 -5.593 1.00 0.00 N ATOM 333 NH2 ARG A 27 4.126 -4.274 -5.436 1.00 0.00 N ATOM 334 HA ARG A 27 2.148 2.381 -4.097 1.00 0.00 H ATOM 335 HB2 ARG A 27 1.559 -0.148 -3.912 1.00 0.00 H ATOM 336 HB3 ARG A 27 2.814 0.254 -5.108 1.00 0.00 H ATOM 337 HG2 ARG A 27 4.386 -0.931 -3.989 1.00 0.00 H ATOM 338 HG3 ARG A 27 3.939 -0.191 -2.434 1.00 0.00 H ATOM 339 HD2 ARG A 27 1.813 -1.970 -3.251 1.00 0.00 H ATOM 340 HD3 ARG A 27 2.879 -2.106 -1.833 1.00 0.00 H ATOM 341 HE ARG A 27 4.283 -3.645 -3.044 1.00 0.00 H ATOM 342 HH12 ARG A 27 2.491 -2.815 -6.605 1.00 0.00 H ATOM 343 HH11 ARG A 27 2.062 -1.841 -5.152 1.00 0.00 H ATOM 344 HH22 ARG A 27 4.002 -4.474 -6.449 1.00 0.00 H ATOM 345 HH21 ARG A 27 4.792 -4.840 -4.872 1.00 0.00 H ATOM 346 H ARG A 27 4.832 1.273 -3.644 1.00 0.00 H ATOM 347 N TYR A 28 1.803 2.830 -1.530 1.00 0.00 N ATOM 348 CA TYR A 28 1.151 2.873 -0.196 1.00 0.00 C ATOM 349 C TYR A 28 -0.307 2.477 -0.374 1.00 0.00 C ATOM 350 O TYR A 28 -0.932 2.809 -1.363 1.00 0.00 O ATOM 351 CB TYR A 28 1.322 4.310 0.320 1.00 0.00 C ATOM 352 CG TYR A 28 0.411 5.249 -0.424 1.00 0.00 C ATOM 353 CD1 TYR A 28 -0.903 5.429 0.014 1.00 0.00 C ATOM 354 CD2 TYR A 28 0.876 5.932 -1.550 1.00 0.00 C ATOM 355 CE1 TYR A 28 -1.755 6.293 -0.675 1.00 0.00 C ATOM 356 CE2 TYR A 28 0.025 6.796 -2.241 1.00 0.00 C ATOM 357 CZ TYR A 28 -1.292 6.979 -1.805 1.00 0.00 C ATOM 358 OH TYR A 28 -2.135 7.833 -2.486 1.00 0.00 O ATOM 359 HA TYR A 28 1.586 2.184 0.528 1.00 0.00 H ATOM 360 HB3 TYR A 28 2.356 4.623 0.175 1.00 0.00 H ATOM 361 HB2 TYR A 28 1.080 4.341 1.382 1.00 0.00 H ATOM 362 HD2 TYR A 28 1.902 5.790 -1.889 1.00 0.00 H ATOM 363 HE2 TYR A 28 0.387 7.328 -3.121 1.00 0.00 H ATOM 364 HE1 TYR A 28 -2.781 6.434 -0.334 1.00 0.00 H ATOM 365 HD1 TYR A 28 -1.263 4.895 0.893 1.00 0.00 H ATOM 366 HH TYR A 28 -3.021 7.842 -2.044 1.00 0.00 H ATOM 367 H TYR A 28 2.080 3.709 -2.011 1.00 0.00 H ATOM 368 N PHE A 29 -0.836 1.723 0.538 1.00 0.00 N ATOM 369 CA PHE A 29 -2.230 1.261 0.369 1.00 0.00 C ATOM 370 C PHE A 29 -3.232 2.179 1.048 1.00 0.00 C ATOM 371 O PHE A 29 -3.088 2.582 2.185 1.00 0.00 O ATOM 372 CB PHE A 29 -2.217 -0.150 0.923 1.00 0.00 C ATOM 373 CG PHE A 29 -1.538 -0.979 -0.129 1.00 0.00 C ATOM 374 CD1 PHE A 29 -2.204 -1.210 -1.328 1.00 0.00 C ATOM 375 CD2 PHE A 29 -0.242 -1.465 0.059 1.00 0.00 C ATOM 376 CE1 PHE A 29 -1.590 -1.937 -2.349 1.00 0.00 C ATOM 377 CE2 PHE A 29 0.381 -2.190 -0.963 1.00 0.00 C ATOM 378 CZ PHE A 29 -0.295 -2.426 -2.168 1.00 0.00 C ATOM 379 HA PHE A 29 -2.558 1.277 -0.671 1.00 0.00 H ATOM 380 HB2 PHE A 29 -1.660 -0.188 1.859 1.00 0.00 H ATOM 381 HB3 PHE A 29 -3.234 -0.504 1.092 1.00 0.00 H ATOM 382 HD2 PHE A 29 0.281 -1.280 0.997 1.00 0.00 H ATOM 383 HE2 PHE A 29 1.392 -2.571 -0.822 1.00 0.00 H ATOM 384 HZ PHE A 29 0.190 -2.991 -2.964 1.00 0.00 H ATOM 385 HE1 PHE A 29 -2.119 -2.122 -3.284 1.00 0.00 H ATOM 386 HD1 PHE A 29 -3.212 -0.821 -1.471 1.00 0.00 H ATOM 387 H PHE A 29 -0.287 1.447 1.377 1.00 0.00 H ATOM 388 N LEU A 30 -4.238 2.524 0.300 1.00 0.00 N ATOM 389 CA LEU A 30 -5.294 3.445 0.785 1.00 0.00 C ATOM 390 C LEU A 30 -6.419 2.676 1.482 1.00 0.00 C ATOM 391 O LEU A 30 -7.236 2.039 0.847 1.00 0.00 O ATOM 392 CB LEU A 30 -5.802 4.080 -0.506 1.00 0.00 C ATOM 393 CG LEU A 30 -4.933 5.276 -0.868 1.00 0.00 C ATOM 394 CD1 LEU A 30 -5.357 5.817 -2.234 1.00 0.00 C ATOM 395 CD2 LEU A 30 -5.109 6.368 0.188 1.00 0.00 C ATOM 396 HA LEU A 30 -4.931 4.166 1.517 1.00 0.00 H ATOM 397 HB2 LEU A 30 -5.762 3.346 -1.311 1.00 0.00 H ATOM 398 HB3 LEU A 30 -6.832 4.409 -0.367 1.00 0.00 H ATOM 399 HG LEU A 30 -3.888 4.970 -0.906 1.00 0.00 H ATOM 400 HD21 LEU A 30 -6.155 6.673 0.222 1.00 0.00 H ATOM 401 HD22 LEU A 30 -4.810 5.981 1.162 1.00 0.00 H ATOM 402 HD23 LEU A 30 -4.487 7.225 -0.070 1.00 0.00 H ATOM 403 HD11 LEU A 30 -5.236 5.037 -2.986 1.00 0.00 H ATOM 404 HD12 LEU A 30 -6.402 6.125 -2.193 1.00 0.00 H ATOM 405 HD13 LEU A 30 -4.735 6.674 -2.493 1.00 0.00 H ATOM 406 H LEU A 30 -4.304 2.143 -0.666 1.00 0.00 H ATOM 407 N ASN A 31 -6.479 2.746 2.783 1.00 0.00 N ATOM 408 CA ASN A 31 -7.564 2.036 3.514 1.00 0.00 C ATOM 409 C ASN A 31 -8.882 2.790 3.326 1.00 0.00 C ATOM 410 O ASN A 31 -9.022 3.919 3.749 1.00 0.00 O ATOM 411 CB ASN A 31 -7.139 2.058 4.982 1.00 0.00 C ATOM 412 CG ASN A 31 -8.058 1.143 5.792 1.00 0.00 C ATOM 413 OD1 ASN A 31 -8.961 0.538 5.251 1.00 0.00 O ATOM 414 ND2 ASN A 31 -7.864 1.015 7.077 1.00 0.00 N ATOM 415 HA ASN A 31 -7.715 1.018 3.156 1.00 0.00 H ATOM 416 HB2 ASN A 31 -6.110 1.709 5.068 1.00 0.00 H ATOM 417 HB3 ASN A 31 -7.209 3.076 5.366 1.00 0.00 H ATOM 418 HD22 ASN A 31 -7.090 1.533 7.540 1.00 0.00 H ATOM 419 HD21 ASN A 31 -8.483 0.395 7.637 1.00 0.00 H ATOM 420 H ASN A 31 -5.770 3.297 3.309 1.00 0.00 H ATOM 421 N HIS A 32 -9.843 2.183 2.685 1.00 0.00 N ATOM 422 CA HIS A 32 -11.145 2.877 2.465 1.00 0.00 C ATOM 423 C HIS A 32 -12.024 2.774 3.715 1.00 0.00 C ATOM 424 O HIS A 32 -12.496 3.765 4.236 1.00 0.00 O ATOM 425 CB HIS A 32 -11.793 2.141 1.292 1.00 0.00 C ATOM 426 CG HIS A 32 -12.029 3.105 0.162 1.00 0.00 C ATOM 427 ND1 HIS A 32 -13.210 3.820 0.035 1.00 0.00 N ATOM 428 CD2 HIS A 32 -11.248 3.482 -0.903 1.00 0.00 C ATOM 429 CE1 HIS A 32 -13.107 4.582 -1.069 1.00 0.00 C ATOM 430 NE2 HIS A 32 -11.930 4.414 -1.678 1.00 0.00 N ATOM 431 HA HIS A 32 -11.014 3.939 2.259 1.00 0.00 H ATOM 432 HB2 HIS A 32 -11.133 1.341 0.956 1.00 0.00 H ATOM 433 HB3 HIS A 32 -12.744 1.715 1.611 1.00 0.00 H ATOM 434 HD2 HIS A 32 -10.245 3.107 -1.110 1.00 0.00 H ATOM 435 HE1 HIS A 32 -13.888 5.254 -1.423 1.00 0.00 H ATOM 436 H HIS A 32 -9.701 1.217 2.328 1.00 0.00 H ATOM 437 N ILE A 33 -12.247 1.583 4.201 1.00 0.00 N ATOM 438 CA ILE A 33 -13.097 1.419 5.417 1.00 0.00 C ATOM 439 C ILE A 33 -12.598 2.331 6.543 1.00 0.00 C ATOM 440 O ILE A 33 -13.338 2.691 7.437 1.00 0.00 O ATOM 441 CB ILE A 33 -12.955 -0.053 5.809 1.00 0.00 C ATOM 442 CG1 ILE A 33 -11.473 -0.406 5.960 1.00 0.00 C ATOM 443 CG2 ILE A 33 -13.578 -0.933 4.725 1.00 0.00 C ATOM 444 CD1 ILE A 33 -11.307 -1.457 7.059 1.00 0.00 C ATOM 445 HA ILE A 33 -14.136 1.690 5.231 1.00 0.00 H ATOM 446 HB ILE A 33 -13.466 -0.224 6.756 1.00 0.00 H ATOM 447 HG12 ILE A 33 -11.096 -0.803 5.017 1.00 0.00 H ATOM 448 HG13 ILE A 33 -10.911 0.490 6.226 1.00 0.00 H ATOM 449 HD11 ILE A 33 -11.683 -1.058 8.001 1.00 0.00 H ATOM 450 HD12 ILE A 33 -11.868 -2.352 6.792 1.00 0.00 H ATOM 451 HD13 ILE A 33 -10.251 -1.707 7.165 1.00 0.00 H ATOM 452 HG21 ILE A 33 -14.634 -0.685 4.620 1.00 0.00 H ATOM 453 HG22 ILE A 33 -13.067 -0.758 3.778 1.00 0.00 H ATOM 454 HG23 ILE A 33 -13.476 -1.981 5.006 1.00 0.00 H ATOM 455 H ILE A 33 -11.832 0.748 3.741 1.00 0.00 H ATOM 456 N ASP A 34 -11.349 2.710 6.503 1.00 0.00 N ATOM 457 CA ASP A 34 -10.805 3.603 7.568 1.00 0.00 C ATOM 458 C ASP A 34 -10.280 4.911 6.958 1.00 0.00 C ATOM 459 O ASP A 34 -9.905 5.826 7.666 1.00 0.00 O ATOM 460 CB ASP A 34 -9.660 2.810 8.200 1.00 0.00 C ATOM 461 CG ASP A 34 -9.616 3.091 9.703 1.00 0.00 C ATOM 462 OD1 ASP A 34 -9.609 4.255 10.069 1.00 0.00 O ATOM 463 OD2 ASP A 34 -9.589 2.136 10.463 1.00 0.00 O ATOM 464 HA ASP A 34 -11.565 3.881 8.298 1.00 0.00 H ATOM 465 HB2 ASP A 34 -9.820 1.745 8.033 1.00 0.00 H ATOM 466 HB3 ASP A 34 -8.716 3.110 7.746 1.00 0.00 H ATOM 467 H ASP A 34 -10.733 2.389 5.729 1.00 0.00 H ATOM 468 N GLN A 35 -10.250 5.011 5.654 1.00 0.00 N ATOM 469 CA GLN A 35 -9.751 6.260 5.009 1.00 0.00 C ATOM 470 C GLN A 35 -8.343 6.598 5.512 1.00 0.00 C ATOM 471 O GLN A 35 -8.152 7.535 6.262 1.00 0.00 O ATOM 472 CB GLN A 35 -10.743 7.349 5.420 1.00 0.00 C ATOM 473 CG GLN A 35 -12.158 6.927 5.018 1.00 0.00 C ATOM 474 CD GLN A 35 -12.963 8.163 4.611 1.00 0.00 C ATOM 475 OE1 GLN A 35 -13.152 9.066 5.401 1.00 0.00 O ATOM 476 NE2 GLN A 35 -13.448 8.241 3.402 1.00 0.00 N ATOM 477 HA GLN A 35 -9.683 6.160 3.926 1.00 0.00 H ATOM 478 HB2 GLN A 35 -10.699 7.492 6.500 1.00 0.00 H ATOM 479 HB3 GLN A 35 -10.486 8.283 4.920 1.00 0.00 H ATOM 480 HG2 GLN A 35 -12.106 6.234 4.178 1.00 0.00 H ATOM 481 HG3 GLN A 35 -12.645 6.438 5.861 1.00 0.00 H ATOM 482 HE22 GLN A 35 -13.286 7.468 2.726 1.00 0.00 H ATOM 483 HE21 GLN A 35 -13.997 9.077 3.115 1.00 0.00 H ATOM 484 H GLN A 35 -10.575 4.218 5.065 1.00 0.00 H ATOM 485 N THR A 36 -7.358 5.847 5.103 1.00 0.00 N ATOM 486 CA THR A 36 -5.964 6.135 5.560 1.00 0.00 C ATOM 487 C THR A 36 -4.949 5.575 4.559 1.00 0.00 C ATOM 488 O THR A 36 -5.305 4.911 3.605 1.00 0.00 O ATOM 489 CB THR A 36 -5.806 5.435 6.918 1.00 0.00 C ATOM 490 OG1 THR A 36 -7.081 5.076 7.439 1.00 0.00 O ATOM 491 CG2 THR A 36 -5.106 6.378 7.897 1.00 0.00 C ATOM 492 HA THR A 36 -5.787 7.208 5.639 1.00 0.00 H ATOM 493 HB THR A 36 -5.211 4.532 6.783 1.00 0.00 H ATOM 494 HG1 THR A 36 -7.630 5.892 7.557 1.00 0.00 H ATOM 495 HG23 THR A 36 -4.129 6.653 7.499 1.00 0.00 H ATOM 496 HG21 THR A 36 -5.711 7.275 8.031 1.00 0.00 H ATOM 497 HG22 THR A 36 -4.980 5.876 8.856 1.00 0.00 H ATOM 498 H THR A 36 -7.542 5.050 4.461 1.00 0.00 H ATOM 499 N THR A 37 -3.687 5.836 4.771 1.00 0.00 N ATOM 500 CA THR A 37 -2.645 5.317 3.835 1.00 0.00 C ATOM 501 C THR A 37 -1.553 4.583 4.617 1.00 0.00 C ATOM 502 O THR A 37 -1.099 5.041 5.647 1.00 0.00 O ATOM 503 CB THR A 37 -2.053 6.555 3.148 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.332 7.321 4.103 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.170 7.410 2.547 1.00 0.00 C ATOM 506 HA THR A 37 -3.064 4.613 3.116 1.00 0.00 H ATOM 507 HB THR A 37 -1.384 6.235 2.349 1.00 0.00 H ATOM 508 HG1 THR A 37 -0.949 8.120 3.662 1.00 0.00 H ATOM 509 HG23 THR A 37 -3.722 6.821 1.815 1.00 0.00 H ATOM 510 HG21 THR A 37 -3.845 7.733 3.339 1.00 0.00 H ATOM 511 HG22 THR A 37 -2.736 8.283 2.060 1.00 0.00 H ATOM 512 H THR A 37 -3.407 6.407 5.594 1.00 0.00 H ATOM 513 N THR A 38 -1.123 3.448 4.136 1.00 0.00 N ATOM 514 CA THR A 38 -0.056 2.694 4.853 1.00 0.00 C ATOM 515 C THR A 38 0.840 1.968 3.845 1.00 0.00 C ATOM 516 O THR A 38 0.388 1.518 2.811 1.00 0.00 O ATOM 517 CB THR A 38 -0.797 1.690 5.737 1.00 0.00 C ATOM 518 OG1 THR A 38 0.147 0.883 6.428 1.00 0.00 O ATOM 519 CG2 THR A 38 -1.691 0.804 4.871 1.00 0.00 C ATOM 520 HA THR A 38 0.588 3.348 5.441 1.00 0.00 H ATOM 521 HB THR A 38 -1.414 2.227 6.458 1.00 0.00 H ATOM 522 HG1 THR A 38 -0.333 0.233 7.000 1.00 0.00 H ATOM 523 HG23 THR A 38 -2.414 1.426 4.342 1.00 0.00 H ATOM 524 HG21 THR A 38 -1.077 0.265 4.149 1.00 0.00 H ATOM 525 HG22 THR A 38 -2.218 0.091 5.505 1.00 0.00 H ATOM 526 H THR A 38 -1.524 3.071 3.254 1.00 0.00 H ATOM 527 N TRP A 39 2.106 1.855 4.136 1.00 0.00 N ATOM 528 CA TRP A 39 3.029 1.163 3.189 1.00 0.00 C ATOM 529 C TRP A 39 2.632 -0.309 3.048 1.00 0.00 C ATOM 530 O TRP A 39 1.522 -0.695 3.358 1.00 0.00 O ATOM 531 CB TRP A 39 4.423 1.281 3.819 1.00 0.00 C ATOM 532 CG TRP A 39 4.716 2.713 4.152 1.00 0.00 C ATOM 533 CD1 TRP A 39 5.103 3.162 5.368 1.00 0.00 C ATOM 534 CD2 TRP A 39 4.652 3.882 3.284 1.00 0.00 C ATOM 535 NE1 TRP A 39 5.280 4.533 5.302 1.00 0.00 N ATOM 536 CE2 TRP A 39 5.015 5.023 4.040 1.00 0.00 C ATOM 537 CE3 TRP A 39 4.319 4.063 1.930 1.00 0.00 C ATOM 538 CZ2 TRP A 39 5.044 6.298 3.472 1.00 0.00 C ATOM 539 CZ3 TRP A 39 4.349 5.345 1.355 1.00 0.00 C ATOM 540 CH2 TRP A 39 4.710 6.459 2.125 1.00 0.00 C ATOM 541 HA TRP A 39 2.997 1.603 2.192 1.00 0.00 H ATOM 542 HB2 TRP A 39 4.459 0.684 4.730 1.00 0.00 H ATOM 543 HB3 TRP A 39 5.170 0.914 3.115 1.00 0.00 H ATOM 544 HE1 TRP A 39 5.577 5.122 6.106 1.00 0.00 H ATOM 545 HD1 TRP A 39 5.251 2.545 6.254 1.00 0.00 H ATOM 546 HZ2 TRP A 39 5.325 7.161 4.075 1.00 0.00 H ATOM 547 HH2 TRP A 39 4.730 7.451 1.673 1.00 0.00 H ATOM 548 HZ3 TRP A 39 4.090 5.474 0.304 1.00 0.00 H ATOM 549 HE3 TRP A 39 4.036 3.203 1.322 1.00 0.00 H ATOM 550 H TRP A 39 2.472 2.247 5.027 1.00 0.00 H ATOM 551 N GLN A 40 3.529 -1.133 2.580 1.00 0.00 N ATOM 552 CA GLN A 40 3.202 -2.579 2.419 1.00 0.00 C ATOM 553 C GLN A 40 2.660 -3.149 3.732 1.00 0.00 C ATOM 554 O GLN A 40 3.086 -2.772 4.805 1.00 0.00 O ATOM 555 CB GLN A 40 4.527 -3.247 2.050 1.00 0.00 C ATOM 556 CG GLN A 40 4.661 -3.309 0.528 1.00 0.00 C ATOM 557 CD GLN A 40 5.424 -2.079 0.031 1.00 0.00 C ATOM 558 OE1 GLN A 40 5.134 -0.969 0.432 1.00 0.00 O ATOM 559 NE2 GLN A 40 6.393 -2.230 -0.829 1.00 0.00 N ATOM 560 HA GLN A 40 2.437 -2.747 1.661 1.00 0.00 H ATOM 561 HB2 GLN A 40 5.353 -2.669 2.464 1.00 0.00 H ATOM 562 HB3 GLN A 40 4.551 -4.257 2.458 1.00 0.00 H ATOM 563 HG2 GLN A 40 5.204 -4.211 0.248 1.00 0.00 H ATOM 564 HG3 GLN A 40 3.669 -3.328 0.076 1.00 0.00 H ATOM 565 HE22 GLN A 40 6.641 -3.180 -1.172 1.00 0.00 H ATOM 566 HE21 GLN A 40 6.918 -1.400 -1.172 1.00 0.00 H ATOM 567 H GLN A 40 4.472 -0.781 2.319 1.00 0.00 H ATOM 568 N ASP A 41 1.724 -4.057 3.655 1.00 0.00 N ATOM 569 CA ASP A 41 1.156 -4.654 4.901 1.00 0.00 C ATOM 570 C ASP A 41 0.122 -5.734 4.552 1.00 0.00 C ATOM 571 O ASP A 41 0.283 -6.879 4.925 1.00 0.00 O ATOM 572 CB ASP A 41 0.496 -3.492 5.648 1.00 0.00 C ATOM 573 CG ASP A 41 1.370 -3.085 6.835 1.00 0.00 C ATOM 574 OD1 ASP A 41 1.520 -3.891 7.739 1.00 0.00 O ATOM 575 OD2 ASP A 41 1.878 -1.975 6.821 1.00 0.00 O ATOM 576 HA ASP A 41 1.923 -5.136 5.508 1.00 0.00 H ATOM 577 HB2 ASP A 41 0.382 -2.644 4.973 1.00 0.00 H ATOM 578 HB3 ASP A 41 -0.485 -3.802 6.008 1.00 0.00 H ATOM 579 H ASP A 41 1.374 -4.365 2.725 1.00 0.00 H ATOM 580 N PRO A 42 -0.915 -5.342 3.846 1.00 0.00 N ATOM 581 CA PRO A 42 -1.969 -6.313 3.458 1.00 0.00 C ATOM 582 C PRO A 42 -1.452 -7.252 2.365 1.00 0.00 C ATOM 583 O PRO A 42 -1.640 -8.451 2.424 1.00 0.00 O ATOM 584 CB PRO A 42 -3.095 -5.431 2.929 1.00 0.00 C ATOM 585 CG PRO A 42 -2.422 -4.173 2.478 1.00 0.00 C ATOM 586 CD PRO A 42 -1.206 -3.988 3.347 1.00 0.00 C ATOM 587 HA PRO A 42 -2.288 -6.951 4.282 1.00 0.00 H ATOM 588 HD3 PRO A 42 -0.369 -3.601 2.766 1.00 0.00 H ATOM 589 HD2 PRO A 42 -1.419 -3.308 4.172 1.00 0.00 H ATOM 590 HG3 PRO A 42 -3.097 -3.325 2.593 1.00 0.00 H ATOM 591 HG2 PRO A 42 -2.126 -4.261 1.433 1.00 0.00 H ATOM 592 HB2 PRO A 42 -3.602 -5.915 2.094 1.00 0.00 H ATOM 593 HB3 PRO A 42 -3.818 -5.218 3.717 1.00 0.00 H ATOM 594 N ARG A 43 -0.805 -6.716 1.366 1.00 0.00 N ATOM 595 CA ARG A 43 -0.278 -7.580 0.271 1.00 0.00 C ATOM 596 C ARG A 43 0.706 -8.609 0.834 1.00 0.00 C ATOM 597 O ARG A 43 0.441 -9.795 0.842 1.00 0.00 O ATOM 598 CB ARG A 43 0.438 -6.619 -0.680 1.00 0.00 C ATOM 599 CG ARG A 43 -0.577 -6.012 -1.650 1.00 0.00 C ATOM 600 CD ARG A 43 -1.114 -7.104 -2.578 1.00 0.00 C ATOM 601 NE ARG A 43 -0.816 -6.615 -3.957 1.00 0.00 N ATOM 602 CZ ARG A 43 -0.825 -7.438 -4.980 1.00 0.00 C ATOM 603 NH1 ARG A 43 -1.094 -8.710 -4.822 1.00 0.00 N ATOM 604 NH2 ARG A 43 -0.561 -6.980 -6.173 1.00 0.00 N ATOM 605 HA ARG A 43 -1.068 -8.139 -0.230 1.00 0.00 H ATOM 606 HB2 ARG A 43 0.912 -5.824 -0.105 1.00 0.00 H ATOM 607 HB3 ARG A 43 1.198 -7.162 -1.242 1.00 0.00 H ATOM 608 HG2 ARG A 43 -1.402 -5.576 -1.087 1.00 0.00 H ATOM 609 HG3 ARG A 43 -0.093 -5.236 -2.244 1.00 0.00 H ATOM 610 HD2 ARG A 43 -2.188 -7.232 -2.440 1.00 0.00 H ATOM 611 HD3 ARG A 43 -0.609 -8.051 -2.389 1.00 0.00 H ATOM 612 HE ARG A 43 -0.598 -5.609 -4.109 1.00 0.00 H ATOM 613 HH12 ARG A 43 -1.097 -9.347 -5.644 1.00 0.00 H ATOM 614 HH11 ARG A 43 -1.305 -9.083 -3.874 1.00 0.00 H ATOM 615 HH22 ARG A 43 -0.566 -7.624 -6.990 1.00 0.00 H ATOM 616 HH21 ARG A 43 -0.346 -5.971 -6.307 1.00 0.00 H ATOM 617 H ARG A 43 -0.657 -5.687 1.334 1.00 0.00 H ATOM 618 N LYS A 44 1.840 -8.165 1.305 1.00 0.00 N ATOM 619 CA LYS A 44 2.839 -9.118 1.868 1.00 0.00 C ATOM 620 C LYS A 44 2.510 -9.426 3.331 1.00 0.00 C ATOM 621 O LYS A 44 1.592 -8.814 3.853 1.00 0.00 O ATOM 622 CB LYS A 44 4.180 -8.394 1.760 1.00 0.00 C ATOM 623 CG LYS A 44 4.127 -7.097 2.569 1.00 0.00 C ATOM 624 CD LYS A 44 5.345 -7.022 3.493 1.00 0.00 C ATOM 625 CE LYS A 44 4.925 -7.373 4.921 1.00 0.00 C ATOM 626 NZ LYS A 44 5.313 -8.801 5.094 1.00 0.00 N ATOM 627 HA LYS A 44 2.846 -10.070 1.338 1.00 0.00 H ATOM 628 OXT LYS A 44 3.182 -10.267 3.904 1.00 0.00 O ATOM 629 HB2 LYS A 44 4.971 -9.034 2.151 1.00 0.00 H ATOM 630 HB3 LYS A 44 4.385 -8.162 0.715 1.00 0.00 H ATOM 631 HG2 LYS A 44 4.133 -6.244 1.890 1.00 0.00 H ATOM 632 HG3 LYS A 44 3.216 -7.078 3.166 1.00 0.00 H ATOM 633 HD2 LYS A 44 6.103 -7.728 3.153 1.00 0.00 H ATOM 634 HD3 LYS A 44 5.755 -6.012 3.473 1.00 0.00 H ATOM 635 HE2 LYS A 44 3.849 -7.250 5.046 1.00 0.00 H ATOM 636 HE3 LYS A 44 5.448 -6.743 5.641 1.00 0.00 H ATOM 637 HZ1 LYS A 44 4.813 -9.382 4.391 1.00 0.00 H ATOM 638 HZ2 LYS A 44 6.340 -8.899 4.959 1.00 0.00 H ATOM 639 HZ3 LYS A 44 5.056 -9.115 6.052 1.00 0.00 H ATOM 640 H LYS A 44 2.047 -7.146 1.287 1.00 0.00 H TER 641 LYS A 44 HETATM 642 H1 GLY A 1 6.622 8.688 6.714 1.00 0.20 H HETATM 643 N GLY A 1 6.105 9.134 7.456 1.00 0.24 N HETATM 644 CA GLY A 1 5.202 10.158 6.860 1.00 0.06 C HETATM 645 C GLY A 1 4.240 9.482 5.875 1.00 0.23 C HETATM 646 O GLY A 1 4.607 9.199 4.752 1.00 -0.39 O HETATM 647 N GLY A 1 3.030 9.242 6.324 1.00 -0.25 N HETATM 648 CA GLY A 1 2.018 8.590 5.457 1.00 0.13 C HETATM 649 C GLY A 1 1.514 9.576 4.392 1.00 0.21 C HETATM 650 O GLY A 1 1.336 10.744 4.672 1.00 -0.39 O HETATM 651 N GLY A 1 1.297 9.073 3.199 1.00 -0.25 N HETATM 652 CA GLY A 1 0.808 9.936 2.096 1.00 0.13 C HETATM 653 C GLY A 1 -0.672 10.286 2.306 1.00 0.21 C HETATM 654 O GLY A 1 -1.350 9.648 3.085 1.00 -0.39 O HETATM 655 N GLY A 1 -1.128 11.294 1.601 1.00 -0.25 N HETATM 656 CA GLY A 1 -2.545 11.722 1.722 1.00 0.13 C HETATM 657 C GLY A 1 -3.470 10.711 1.037 1.00 0.20 C HETATM 658 O GLY A 1 -3.049 9.644 0.635 1.00 -0.39 O HETATM 659 N GLY A 1 -4.726 11.038 0.901 1.00 -0.26 N HETATM 660 CA GLY A 1 -5.675 10.096 0.240 1.00 0.14 C HETATM 661 CB GLY A 1 -6.780 9.856 1.271 1.00 0.02 C HETATM 662 CG GLY A 1 -7.392 8.493 1.048 1.00 -0.05 C HETATM 663 CD1 GLY A 1 -7.854 8.131 -0.224 1.00 -0.07 C HETATM 664 CE1 GLY A 1 -8.422 6.869 -0.429 1.00 -0.04 C HETATM 665 CZ GLY A 1 -8.528 5.968 0.636 1.00 0.08 C HETATM 666 CE2 GLY A 1 -8.066 6.329 1.907 1.00 -0.04 C HETATM 667 CD2 GLY A 1 -7.499 7.591 2.113 1.00 -0.07 C HETATM 668 H31 GLY A 1 -7.142 7.871 3.098 1.00 0.05 H HETATM 669 H33 GLY A 1 -8.148 5.630 2.732 1.00 0.05 H HETATM 670 OH GLY A 1 -9.088 4.723 0.434 1.00 -0.34 O HETATM 671 H34 GLY A 1 -8.450 4.052 0.647 1.00 0.25 H HETATM 672 H32 GLY A 1 -8.780 6.589 -1.413 1.00 0.05 H HETATM 673 H30 GLY A 1 -7.771 8.829 -1.050 1.00 0.05 H HETATM 674 H28 GLY A 1 -7.556 10.628 1.163 1.00 0.05 H HETATM 675 H29 GLY A 1 -6.353 9.905 2.284 1.00 0.05 H HETATM 676 C GLY A 1 -6.254 10.731 -1.028 1.00 0.20 C HETATM 677 N GLY A 1 -6.919 11.849 -0.938 1.00 -0.30 N HETATM 678 H35 GLY A 1 -7.301 12.271 -1.760 1.00 0.18 H HETATM 679 H36 GLY A 1 -7.047 12.284 -0.047 1.00 0.18 H HETATM 680 O GLY A 1 -6.098 10.201 -2.111 1.00 -0.39 O HETATM 681 H27 GLY A 1 -5.171 9.152 -0.016 1.00 0.08 H HETATM 682 H26 GLY A 1 -5.052 11.920 1.240 1.00 0.19 H HETATM 683 CB GLY A 1 -2.579 13.064 0.998 1.00 -0.01 C HETATM 684 CG GLY A 1 -1.437 13.014 0.033 1.00 -0.03 C HETATM 685 CD GLY A 1 -0.384 12.122 0.638 1.00 0.04 C HETATM 686 H24 GLY A 1 0.088 11.496 -0.133 1.00 0.05 H HETATM 687 H25 GLY A 1 0.387 12.718 1.149 1.00 0.05 H HETATM 688 H22 GLY A 1 -1.774 12.601 -0.929 1.00 0.03 H HETATM 689 H23 GLY A 1 -1.031 14.024 -0.124 1.00 0.03 H HETATM 690 H20 GLY A 1 -2.446 13.891 1.711 1.00 0.03 H HETATM 691 H21 GLY A 1 -3.532 13.190 0.463 1.00 0.03 H HETATM 692 H19 GLY A 1 -2.836 11.835 2.777 1.00 0.08 H HETATM 693 CB GLY A 1 0.989 9.070 0.853 1.00 -0.01 C HETATM 694 CG GLY A 1 0.959 7.661 1.354 1.00 -0.03 C HETATM 695 CD GLY A 1 1.483 7.679 2.767 1.00 0.04 C HETATM 696 H17 GLY A 1 0.908 6.992 3.406 1.00 0.05 H HETATM 697 H18 GLY A 1 2.547 7.401 2.793 1.00 0.05 H HETATM 698 H15 GLY A 1 -0.072 7.278 1.339 1.00 0.03 H HETATM 699 H16 GLY A 1 1.596 7.023 0.724 1.00 0.03 H HETATM 700 H13 GLY A 1 1.952 9.287 0.368 1.00 0.03 H HETATM 701 H14 GLY A 1 0.171 9.244 0.139 1.00 0.03 H HETATM 702 H12 GLY A 1 1.401 10.860 2.023 1.00 0.08 H HETATM 703 CB GLY A 1 0.900 8.218 6.425 1.00 -0.01 C HETATM 704 CG GLY A 1 1.038 9.176 7.567 1.00 -0.03 C HETATM 705 CD GLY A 1 2.496 9.547 7.660 1.00 0.04 C HETATM 706 H10 GLY A 1 2.613 10.616 7.893 1.00 0.05 H HETATM 707 H11 GLY A 1 3.003 8.947 8.430 1.00 0.05 H HETATM 708 H8 GLY A 1 0.431 10.074 7.381 1.00 0.03 H HETATM 709 H9 GLY A 1 0.710 8.698 8.502 1.00 0.03 H HETATM 710 H6 GLY A 1 1.020 7.182 6.774 1.00 0.03 H HETATM 711 H7 GLY A 1 -0.082 8.331 5.943 1.00 0.03 H HETATM 712 H5 GLY A 1 2.431 7.695 4.968 1.00 0.08 H HETATM 713 H3 GLY A 1 5.802 10.911 6.328 1.00 0.11 H HETATM 714 H4 GLY A 1 4.625 10.647 7.659 1.00 0.11 H HETATM 715 H2 GLY A 1 5.543 8.447 7.935 1.00 0.20 H HETATM 716 C1 GLY A 1 7.072 9.721 8.426 1.00 -0.03 C HETATM 717 C2 GLY A 1 8.352 8.901 8.249 1.00 -0.01 C HETATM 718 C3 GLY A 1 9.566 9.768 8.589 1.00 -0.05 C HETATM 719 C4 GLY A 1 10.844 8.945 8.422 1.00 -0.05 C HETATM 720 C5 GLY A 1 11.719 9.575 7.337 1.00 -0.05 C HETATM 721 C6 GLY A 1 12.695 10.565 7.978 1.00 -0.05 C HETATM 722 C7 GLY A 1 14.123 10.227 7.543 1.00 -0.06 C HETATM 723 C8 GLY A 1 14.283 10.511 6.048 1.00 -0.07 C HETATM 724 H51 GLY A 1 15.309 10.268 5.736 1.00 0.02 H HETATM 725 H52 GLY A 1 14.083 11.575 5.853 1.00 0.02 H HETATM 726 H53 GLY A 1 13.571 9.894 5.479 1.00 0.02 H HETATM 727 H49 GLY A 1 14.323 9.163 7.737 1.00 0.03 H HETATM 728 H50 GLY A 1 14.835 10.844 8.111 1.00 0.03 H HETATM 729 H47 GLY A 1 12.620 10.497 9.073 1.00 0.03 H HETATM 730 H48 GLY A 1 12.446 11.587 7.656 1.00 0.03 H HETATM 731 H45 GLY A 1 11.082 10.105 6.614 1.00 0.03 H HETATM 732 H46 GLY A 1 12.284 8.787 6.819 1.00 0.03 H HETATM 733 H43 GLY A 1 10.582 7.917 8.131 1.00 0.03 H HETATM 734 H44 GLY A 1 11.396 8.928 9.373 1.00 0.03 H HETATM 735 H41 GLY A 1 9.488 10.116 9.629 1.00 0.03 H HETATM 736 H42 GLY A 1 9.598 10.635 7.913 1.00 0.03 H HETATM 737 H39 GLY A 1 8.427 8.559 7.206 1.00 0.03 H HETATM 738 H40 GLY A 1 8.325 8.030 8.920 1.00 0.03 H HETATM 739 H37 GLY A 1 6.693 9.630 9.454 1.00 0.08 H HETATM 740 H38 GLY A 1 7.256 10.781 8.196 1.00 0.08 H CONECT 1 2 20 21 22 CONECT 20 1 CONECT 21 1 CONECT 22 1 CONECT 642 643 CONECT 643 642 644 715 716 CONECT 644 643 645 713 714 CONECT 645 644 646 647 CONECT 646 645 CONECT 647 645 648 705 CONECT 648 647 649 703 712 CONECT 649 648 650 651 CONECT 650 649 CONECT 651 649 652 695 CONECT 652 651 653 693 702 CONECT 653 652 654 655 CONECT 654 653 CONECT 655 653 656 685 CONECT 656 655 657 683 692 CONECT 657 656 658 659 CONECT 658 657 CONECT 659 657 660 682 CONECT 660 659 661 676 681 CONECT 661 660 662 674 675 CONECT 662 661 663 667 CONECT 663 662 664 673 CONECT 664 663 665 672 CONECT 665 664 666 670 CONECT 666 665 667 669 CONECT 667 662 666 668 CONECT 668 667 CONECT 669 666 CONECT 670 665 671 CONECT 671 670 CONECT 672 664 CONECT 673 663 CONECT 674 661 CONECT 675 661 CONECT 676 660 677 680 CONECT 677 676 678 679 CONECT 678 677 CONECT 679 677 CONECT 680 676 CONECT 681 660 CONECT 682 659 CONECT 683 656 684 690 691 CONECT 684 683 685 688 689 CONECT 685 655 684 686 687 CONECT 686 685 CONECT 687 685 CONECT 688 684 CONECT 689 684 CONECT 690 683 CONECT 691 683 CONECT 692 656 CONECT 693 652 694 700 701 CONECT 694 693 695 698 699 CONECT 695 651 694 696 697 CONECT 696 695 CONECT 697 695 CONECT 698 694 CONECT 699 694 CONECT 700 693 CONECT 701 693 CONECT 702 652 CONECT 703 648 704 710 711 CONECT 704 703 705 708 709 CONECT 705 647 704 706 707 CONECT 706 705 CONECT 707 705 CONECT 708 704 CONECT 709 704 CONECT 710 703 CONECT 711 703 CONECT 712 648 CONECT 713 644 CONECT 714 644 CONECT 715 643 CONECT 716 643 717 739 740 CONECT 717 716 718 737 738 CONECT 718 717 719 735 736 CONECT 719 718 720 733 734 CONECT 720 719 721 731 732 CONECT 721 720 722 729 730 CONECT 722 721 723 727 728 CONECT 723 722 724 725 726 CONECT 724 723 CONECT 725 723 CONECT 726 723 CONECT 727 722 CONECT 728 722 CONECT 729 721 CONECT 730 721 CONECT 731 720 CONECT 732 720 CONECT 733 719 CONECT 734 719 CONECT 735 718 CONECT 736 718 CONECT 737 717 CONECT 738 717 CONECT 739 716 CONECT 740 716 MASTER 0 0 0 0 0 0 0 0 739 1 103 4 END
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Protein Sequence Similarity
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PDBbind
46aa, >1JMQ_1|Chain... *
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PDBbind
40aa, >1K9R_1|Chain... at 97%
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5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
3iqi
RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
PDBbind
5-mer
3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
1k9q
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
65 kda yes-associated protein
Ligand Name
5-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=700uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. v314 pp. 1147-56, 2001
Ligand Properties
Formula
C
3
4
H
5
3
N
6
O
6
Molecular Weight
641.821
Exact Mass
641.403
No. of atoms
99
No. of bonds
102
Polar Surface Area
169.96
LOGP Value
3.29 (
Computed with XLOGP3
)
1.71 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 4
Canonical SMILES
CCCCCCCC[NH2+]CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O
InChI String
InChI=1S/C34H52N6O6/c1-2-3-4-5-6-7-18-36-23-30(42)38-19-9-12-28(38)33(45)40-21-10-13-29(40)34(46)39-20-8-11-27(39)32(44)37-26(31(35)43)22-24-14-16-25(41)17-15-24/h14-17,26-29,36,41H,2-13,18-23H2,1H3,(H2,35,43)(H,37,44)/p+1/t26-,27-,28-,29-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P46937
Entrez Gene ID
NCBI Entrez Gene ID:
10413
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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