Browse entries in the PDBbind-CN Database
HEADER 5C11_COMPLEX COMPND 5C11_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 52 SER VAL CYS ALA ALA GLN ASN CYS GLN ARG PRO CYS LYS SEQRES 2 A 52 ASP LYS VAL ASP TRP VAL GLN CYS ASP GLY GLY CYS ASP SEQRES 3 A 52 GLU TRP PHE HIS GLN VAL CYS VAL GLY VAL SER PRO GLU SEQRES 4 A 52 MET ALA GLU ASN GLU ASP TYR ILE CYS ILE ASN CYS ALA HET ZN A 1 1 HET ZN A 2 1 HET ALA A 55 123 ATOM 1 N SER A 1 -54.363 -15.543 -8.665 1.00 91.68 N ATOM 2 CA SER A 1 -53.815 -16.244 -7.510 1.00 96.30 C ATOM 3 C SER A 1 -53.406 -15.268 -6.415 1.00 94.94 C ATOM 4 O SER A 1 -52.746 -14.268 -6.679 1.00 88.65 O ATOM 5 CB SER A 1 -52.615 -17.103 -7.922 1.00 95.45 C ATOM 6 OG SER A 1 -52.996 -18.153 -8.796 1.00 94.50 O ATOM 7 HG SER A 1 -52.197 -18.684 -9.040 1.00 0.00 H ATOM 8 HN3 SER A 1 -53.645 -14.895 -9.049 1.00 0.00 H ATOM 9 HN2 SER A 1 -55.201 -15.000 -8.374 1.00 0.00 H ATOM 10 HN1 SER A 1 -54.632 -16.235 -9.393 1.00 0.00 H ATOM 11 N VAL A 2 -53.804 -15.566 -5.184 1.00 87.07 N ATOM 12 CA VAL A 2 -53.457 -14.726 -4.048 1.00 85.20 C ATOM 13 C VAL A 2 -52.609 -15.489 -3.041 1.00 81.30 C ATOM 14 O VAL A 2 -52.909 -16.631 -2.701 1.00 90.23 O ATOM 15 CB VAL A 2 -54.713 -14.189 -3.338 1.00 92.25 C ATOM 16 CG1 VAL A 2 -54.323 -13.193 -2.248 1.00 80.00 C ATOM 17 CG2 VAL A 2 -55.661 -13.540 -4.337 1.00 93.79 C ATOM 18 H VAL A 2 -54.377 -16.420 -5.028 1.00 0.00 H ATOM 19 N CYS A 3 -51.539 -14.857 -2.574 1.00 78.22 N ATOM 20 CA CYS A 3 -50.716 -15.460 -1.541 1.00 75.32 C ATOM 21 C CYS A 3 -50.794 -14.666 -0.246 1.00 75.65 C ATOM 22 O CYS A 3 -51.542 -13.693 -0.138 1.00 89.72 O ATOM 23 CB CYS A 3 -49.262 -15.581 -2.001 1.00 73.89 C ATOM 24 SG CYS A 3 -48.285 -14.074 -1.844 1.00 66.45 S ATOM 25 H CYS A 3 -51.288 -13.921 -2.952 1.00 0.00 H ATOM 26 N ALA A 4 -50.005 -15.093 0.732 1.00 69.24 N ATOM 27 CA ALA A 4 -50.105 -14.579 2.093 1.00 77.11 C ATOM 28 C ALA A 4 -49.314 -13.301 2.327 1.00 83.19 C ATOM 29 O ALA A 4 -49.311 -12.774 3.433 1.00 97.11 O ATOM 30 CB ALA A 4 -49.660 -15.651 3.088 1.00 79.85 C ATOM 31 H ALA A 4 -49.291 -15.819 0.521 1.00 0.00 H ATOM 32 N ALA A 5 -48.644 -12.799 1.298 1.00 92.30 N ATOM 33 CA ALA A 5 -47.871 -11.573 1.455 1.00 95.49 C ATOM 34 C ALA A 5 -48.802 -10.391 1.683 1.00 95.34 C ATOM 35 O ALA A 5 -49.960 -10.407 1.257 1.00 85.54 O ATOM 36 CB ALA A 5 -46.986 -11.329 0.244 1.00 77.51 C ATOM 37 H ALA A 5 -48.670 -13.281 0.377 1.00 0.00 H ATOM 38 N GLN A 6 -48.292 -9.382 2.381 1.00 96.82 N ATOM 39 CA GLN A 6 -49.052 -8.175 2.658 1.00101.61 C ATOM 40 C GLN A 6 -49.547 -7.561 1.349 1.00 96.29 C ATOM 41 O GLN A 6 -50.738 -7.311 1.163 1.00 95.40 O ATOM 42 CB GLN A 6 -48.192 -7.175 3.425 1.00117.13 C ATOM 43 CG GLN A 6 -47.825 -7.604 4.836 1.00121.20 C ATOM 44 CD GLN A 6 -46.691 -8.601 4.885 1.00139.08 C ATOM 45 OE1 GLN A 6 -46.011 -8.826 3.892 1.00137.12 O ATOM 46 NE2 GLN A 6 -46.489 -9.212 6.045 1.00140.70 N ATOM 47 HE22 GLN A 6 -47.092 -8.989 6.862 1.00 0.00 H ATOM 48 HE21 GLN A 6 -45.728 -9.914 6.137 1.00 0.00 H ATOM 49 H GLN A 6 -47.319 -9.458 2.740 1.00 0.00 H ATOM 50 N ASN A 7 -48.615 -7.335 0.431 1.00100.85 N ATOM 51 CA ASN A 7 -48.963 -6.877 -0.906 1.00106.61 C ATOM 52 C ASN A 7 -48.768 -7.974 -1.940 1.00 98.90 C ATOM 53 O ASN A 7 -47.847 -7.914 -2.757 1.00 97.69 O ATOM 54 CB ASN A 7 -48.142 -5.644 -1.289 1.00105.90 C ATOM 55 CG ASN A 7 -48.759 -4.360 -0.783 1.00117.85 C ATOM 56 OD1 ASN A 7 -49.551 -4.370 0.161 1.00131.98 O ATOM 57 ND2 ASN A 7 -48.396 -3.243 -1.405 1.00120.24 N ATOM 58 HD22 ASN A 7 -47.724 -3.284 -2.198 1.00 0.00 H ATOM 59 HD21 ASN A 7 -48.784 -2.328 -1.099 1.00 0.00 H ATOM 60 H ASN A 7 -47.615 -7.488 0.672 1.00 0.00 H ATOM 61 N CYS A 8 -49.638 -8.978 -1.894 1.00 89.05 N ATOM 62 CA CYS A 8 -49.672 -9.979 -2.945 1.00 86.89 C ATOM 63 C CYS A 8 -49.955 -9.268 -4.258 1.00 91.43 C ATOM 64 O CYS A 8 -51.016 -8.669 -4.443 1.00 94.74 O ATOM 65 CB CYS A 8 -50.726 -11.050 -2.667 1.00 84.81 C ATOM 66 SG CYS A 8 -50.910 -12.246 -4.013 1.00 78.93 S ATOM 67 H CYS A 8 -50.302 -9.047 -1.096 1.00 0.00 H ATOM 68 N GLN A 9 -48.989 -9.334 -5.165 1.00 87.38 N ATOM 69 CA GLN A 9 -49.051 -8.592 -6.413 1.00 80.74 C ATOM 70 C GLN A 9 -49.923 -9.306 -7.442 1.00 80.33 C ATOM 71 O GLN A 9 -49.794 -9.071 -8.645 1.00 98.29 O ATOM 72 CB GLN A 9 -47.637 -8.380 -6.950 1.00 90.10 C ATOM 73 CG GLN A 9 -46.701 -7.766 -5.922 1.00101.26 C ATOM 74 CD GLN A 9 -45.250 -7.847 -6.329 1.00105.11 C ATOM 75 OE1 GLN A 9 -44.911 -8.463 -7.337 1.00102.01 O ATOM 76 NE2 GLN A 9 -44.379 -7.229 -5.541 1.00109.90 N ATOM 77 HE22 GLN A 9 -44.711 -6.719 -4.698 1.00 0.00 H ATOM 78 HE21 GLN A 9 -43.364 -7.254 -5.767 1.00 0.00 H ATOM 79 H GLN A 9 -48.162 -9.935 -4.977 1.00 0.00 H ATOM 80 N ARG A 10 -50.818 -10.153 -6.933 1.00 87.87 N ATOM 81 CA ARG A 10 -51.717 -11.002 -7.719 1.00 90.75 C ATOM 82 C ARG A 10 -51.135 -11.473 -9.049 1.00 86.41 C ATOM 83 O ARG A 10 -51.598 -11.059 -10.112 1.00101.33 O ATOM 84 CB ARG A 10 -53.043 -10.277 -7.965 1.00103.34 C ATOM 85 CG ARG A 10 -54.121 -10.592 -6.930 1.00105.10 C ATOM 86 CD ARG A 10 -55.426 -9.877 -7.257 1.00111.59 C ATOM 87 NE ARG A 10 -56.549 -10.372 -6.466 1.00123.79 N ATOM 88 CZ ARG A 10 -57.406 -11.297 -6.882 1.00127.26 C ATOM 89 NH1 ARG A 10 -57.272 -11.830 -8.086 1.00110.53 N ATOM 90 NH2 ARG A 10 -58.399 -11.686 -6.095 1.00129.90 N ATOM 91 HE ARG A 10 -56.687 -9.974 -5.515 1.00 0.00 H ATOM 92 HH12 ARG A 10 -57.943 -12.554 -8.412 1.00 0.00 H ATOM 93 HH11 ARG A 10 -56.495 -11.524 -8.706 1.00 0.00 H ATOM 94 HH22 ARG A 10 -59.069 -12.411 -6.423 1.00 0.00 H ATOM 95 HH21 ARG A 10 -58.508 -11.267 -5.150 1.00 0.00 H ATOM 96 H ARG A 10 -50.883 -10.216 -5.897 1.00 0.00 H ATOM 97 N PRO A 11 -50.110 -12.340 -8.990 1.00 87.52 N ATOM 98 CA PRO A 11 -49.518 -12.918 -10.200 1.00 88.41 C ATOM 99 C PRO A 11 -50.549 -13.676 -11.025 1.00 97.43 C ATOM 100 O PRO A 11 -51.129 -14.656 -10.556 1.00 93.89 O ATOM 101 CB PRO A 11 -48.446 -13.865 -9.649 1.00 78.46 C ATOM 102 CG PRO A 11 -48.110 -13.314 -8.317 1.00 80.77 C ATOM 103 CD PRO A 11 -49.402 -12.783 -7.777 1.00 92.02 C ATOM 104 N CYS A 12 -50.777 -13.205 -12.246 1.00 95.50 N ATOM 105 CA CYS A 12 -51.774 -13.797 -13.124 1.00103.68 C ATOM 106 C CYS A 12 -51.135 -14.327 -14.399 1.00101.77 C ATOM 107 O CYS A 12 -50.987 -13.597 -15.382 1.00106.09 O ATOM 108 CB CYS A 12 -52.861 -12.775 -13.466 1.00103.91 C ATOM 109 SG CYS A 12 -54.064 -13.357 -14.680 1.00106.39 S ATOM 110 H CYS A 12 -50.227 -12.390 -12.584 1.00 0.00 H ATOM 111 N LYS A 13 -50.756 -15.600 -14.375 1.00105.98 N ATOM 112 CA LYS A 13 -50.135 -16.230 -15.528 1.00115.21 C ATOM 113 C LYS A 13 -50.110 -17.740 -15.357 1.00105.26 C ATOM 114 O LYS A 13 -50.331 -18.255 -14.264 1.00118.65 O ATOM 115 CB LYS A 13 -48.714 -15.704 -15.737 1.00110.03 C ATOM 116 CG LYS A 13 -47.784 -15.954 -14.563 1.00100.14 C ATOM 117 CD LYS A 13 -46.379 -15.452 -14.853 1.00101.77 C ATOM 118 CE LYS A 13 -45.456 -15.678 -13.663 1.00112.21 C ATOM 119 NZ LYS A 13 -44.063 -15.229 -13.941 1.00110.68 N ATOM 120 HZ1 LYS A 13 -43.684 -15.760 -14.751 1.00 0.00 H ATOM 121 HZ2 LYS A 13 -44.065 -14.213 -14.162 1.00 0.00 H ATOM 122 HZ3 LYS A 13 -43.471 -15.402 -13.104 1.00 0.00 H ATOM 123 H LYS A 13 -50.907 -16.159 -13.511 1.00 0.00 H ATOM 124 N ASP A 14 -49.849 -18.449 -16.447 1.00103.86 N ATOM 125 CA ASP A 14 -49.659 -19.890 -16.381 1.00107.57 C ATOM 126 C ASP A 14 -48.292 -20.168 -15.767 1.00103.63 C ATOM 127 O ASP A 14 -47.306 -19.516 -16.118 1.00108.59 O ATOM 128 CB ASP A 14 -49.780 -20.522 -17.767 1.00114.89 C ATOM 129 CG ASP A 14 -51.137 -20.274 -18.399 1.00121.61 C ATOM 130 OD1 ASP A 14 -52.105 -20.006 -17.653 1.00126.23 O ATOM 131 OD2 ASP A 14 -51.239 -20.354 -19.642 1.00118.73 O ATOM 132 H ASP A 14 -49.779 -17.966 -17.365 1.00 0.00 H ATOM 133 N LYS A 15 -48.255 -21.131 -14.848 1.00 81.25 N ATOM 134 CA LYS A 15 -47.073 -21.465 -14.046 1.00 88.79 C ATOM 135 C LYS A 15 -46.758 -20.384 -13.014 1.00 85.44 C ATOM 136 O LYS A 15 -46.279 -19.304 -13.353 1.00 81.55 O ATOM 137 CB LYS A 15 -45.843 -21.721 -14.927 1.00 93.19 C ATOM 138 CG LYS A 15 -45.910 -23.005 -15.738 1.00100.39 C ATOM 139 CD LYS A 15 -44.590 -23.283 -16.440 1.00 98.95 C ATOM 140 CE LYS A 15 -44.628 -24.619 -17.164 1.00 99.58 C ATOM 141 NZ LYS A 15 -43.337 -24.941 -17.837 1.00108.20 N ATOM 142 HZ1 LYS A 15 -43.119 -24.203 -18.537 1.00 0.00 H ATOM 143 HZ2 LYS A 15 -42.578 -24.982 -17.127 1.00 0.00 H ATOM 144 HZ3 LYS A 15 -43.417 -25.861 -18.315 1.00 0.00 H ATOM 145 H LYS A 15 -49.122 -21.683 -14.688 1.00 0.00 H ATOM 146 N VAL A 16 -47.036 -20.692 -11.751 1.00 81.56 N ATOM 147 CA VAL A 16 -46.720 -19.803 -10.639 1.00 74.45 C ATOM 148 C VAL A 16 -45.797 -20.521 -9.659 1.00 66.40 C ATOM 149 O VAL A 16 -46.021 -21.683 -9.336 1.00 68.46 O ATOM 150 CB VAL A 16 -47.989 -19.338 -9.899 1.00 75.63 C ATOM 151 CG1 VAL A 16 -47.640 -18.286 -8.856 1.00 66.23 C ATOM 152 CG2 VAL A 16 -49.014 -18.795 -10.884 1.00 84.64 C ATOM 153 H VAL A 16 -47.497 -21.602 -11.548 1.00 0.00 H ATOM 154 N ASP A 17 -44.758 -19.835 -9.192 1.00 66.22 N ATOM 155 CA ASP A 17 -43.794 -20.439 -8.275 1.00 62.33 C ATOM 156 C ASP A 17 -44.094 -20.067 -6.825 1.00 69.90 C ATOM 157 O ASP A 17 -44.185 -18.892 -6.479 1.00 70.73 O ATOM 158 CB ASP A 17 -42.369 -20.022 -8.647 1.00 66.97 C ATOM 159 CG ASP A 17 -41.980 -20.469 -10.043 1.00 81.23 C ATOM 160 OD1 ASP A 17 -42.379 -21.584 -10.445 1.00 76.43 O ATOM 161 OD2 ASP A 17 -41.277 -19.706 -10.735 1.00104.47 O ATOM 162 H ASP A 17 -44.629 -18.846 -9.486 1.00 0.00 H ATOM 163 N TRP A 18 -44.247 -21.081 -5.979 1.00 71.77 N ATOM 164 CA TRP A 18 -44.593 -20.865 -4.576 1.00 69.92 C ATOM 165 C TRP A 18 -43.468 -21.275 -3.631 1.00 79.57 C ATOM 166 O TRP A 18 -42.589 -22.059 -3.987 1.00 70.98 O ATOM 167 CB TRP A 18 -45.858 -21.641 -4.204 1.00 63.84 C ATOM 168 CG TRP A 18 -47.071 -21.289 -5.002 1.00 61.19 C ATOM 169 CD1 TRP A 18 -47.331 -21.643 -6.289 1.00 70.04 C ATOM 170 CD2 TRP A 18 -48.202 -20.535 -4.555 1.00 57.84 C ATOM 171 NE1 TRP A 18 -48.547 -21.147 -6.678 1.00 63.37 N ATOM 172 CE2 TRP A 18 -49.106 -20.463 -5.632 1.00 58.94 C ATOM 173 CE3 TRP A 18 -48.539 -19.910 -3.353 1.00 64.37 C ATOM 174 CZ2 TRP A 18 -50.321 -19.793 -5.543 1.00 63.69 C ATOM 175 CZ3 TRP A 18 -49.738 -19.249 -3.266 1.00 62.56 C ATOM 176 CH2 TRP A 18 -50.619 -19.195 -4.353 1.00 56.37 C ATOM 177 HE1 TRP A 18 -48.977 -21.270 -7.617 1.00 0.00 H ATOM 178 H TRP A 18 -44.117 -22.053 -6.325 1.00 0.00 H ATOM 179 N VAL A 19 -43.508 -20.733 -2.421 1.00 71.00 N ATOM 180 CA VAL A 19 -42.589 -21.132 -1.368 1.00 77.20 C ATOM 181 C VAL A 19 -43.317 -21.047 -0.028 1.00 84.45 C ATOM 182 O VAL A 19 -44.184 -20.195 0.162 1.00 79.44 O ATOM 183 CB VAL A 19 -41.313 -20.256 -1.353 1.00 81.66 C ATOM 184 CG1 VAL A 19 -41.639 -18.817 -0.967 1.00 82.47 C ATOM 185 CG2 VAL A 19 -40.264 -20.849 -0.420 1.00 91.70 C ATOM 186 H VAL A 19 -44.218 -20.001 -2.220 1.00 0.00 H ATOM 187 N GLN A 20 -42.987 -21.945 0.892 1.00 77.45 N ATOM 188 CA GLN A 20 -43.668 -21.981 2.182 1.00 87.09 C ATOM 189 C GLN A 20 -42.728 -21.603 3.320 1.00 91.67 C ATOM 190 O GLN A 20 -41.550 -21.958 3.312 1.00 93.18 O ATOM 191 CB GLN A 20 -44.269 -23.365 2.433 1.00 88.92 C ATOM 192 CG GLN A 20 -45.213 -23.405 3.621 1.00 94.56 C ATOM 193 CD GLN A 20 -45.824 -24.773 3.838 1.00 89.98 C ATOM 194 OE1 GLN A 20 -45.316 -25.779 3.347 1.00 90.58 O ATOM 195 NE2 GLN A 20 -46.926 -24.816 4.576 1.00 93.27 N ATOM 196 HE22 GLN A 20 -47.321 -23.939 4.972 1.00 0.00 H ATOM 197 HE21 GLN A 20 -47.394 -25.726 4.759 1.00 0.00 H ATOM 198 H GLN A 20 -42.233 -22.632 0.691 1.00 0.00 H ATOM 199 N CYS A 21 -43.265 -20.880 4.298 1.00 91.51 N ATOM 200 CA CYS A 21 -42.484 -20.419 5.436 1.00100.12 C ATOM 201 C CYS A 21 -42.118 -21.567 6.370 1.00101.01 C ATOM 202 O CYS A 21 -42.943 -22.434 6.658 1.00 97.59 O ATOM 203 CB CYS A 21 -43.255 -19.344 6.205 1.00100.18 C ATOM 204 SG CYS A 21 -42.363 -18.647 7.611 1.00102.08 S ATOM 205 H CYS A 21 -44.275 -20.636 4.248 1.00 0.00 H ATOM 206 N ASP A 22 -40.872 -21.570 6.832 1.00 99.16 N ATOM 207 CA ASP A 22 -40.417 -22.545 7.815 1.00102.59 C ATOM 208 C ASP A 22 -40.587 -21.985 9.220 1.00117.36 C ATOM 209 O ASP A 22 -40.645 -22.731 10.194 1.00116.99 O ATOM 210 CB ASP A 22 -38.954 -22.913 7.578 1.00 93.01 C ATOM 211 CG ASP A 22 -38.715 -23.500 6.205 1.00102.08 C ATOM 212 OD1 ASP A 22 -39.487 -24.390 5.788 1.00110.15 O ATOM 213 OD2 ASP A 22 -37.753 -23.066 5.541 1.00 98.54 O ATOM 214 H ASP A 22 -40.202 -20.856 6.482 1.00 0.00 H ATOM 215 N GLY A 23 -40.680 -20.661 9.309 1.00114.64 N ATOM 216 CA GLY A 23 -40.675 -19.960 10.581 1.00116.66 C ATOM 217 C GLY A 23 -41.849 -20.222 11.505 1.00121.33 C ATOM 218 O GLY A 23 -41.867 -19.733 12.634 1.00118.47 O ATOM 219 H GLY A 23 -40.759 -20.106 8.433 1.00 0.00 H ATOM 220 N GLY A 24 -42.836 -20.981 11.039 1.00116.86 N ATOM 221 CA GLY A 24 -43.943 -21.357 11.897 1.00106.70 C ATOM 222 C GLY A 24 -45.323 -21.291 11.273 1.00115.35 C ATOM 223 O GLY A 24 -46.057 -22.277 11.292 1.00119.53 O ATOM 224 H GLY A 24 -42.814 -21.308 10.052 1.00 0.00 H ATOM 225 N CYS A 25 -45.675 -20.134 10.718 1.00113.35 N ATOM 226 CA CYS A 25 -47.030 -19.898 10.221 1.00102.25 C ATOM 227 C CYS A 25 -47.437 -20.892 9.138 1.00104.86 C ATOM 228 O CYS A 25 -48.626 -21.097 8.897 1.00 86.85 O ATOM 229 CB CYS A 25 -47.168 -18.466 9.691 1.00103.89 C ATOM 230 SG CYS A 25 -46.523 -18.196 8.023 1.00105.60 S ATOM 231 H CYS A 25 -44.967 -19.377 10.635 1.00 0.00 H ATOM 232 N ASP A 26 -46.442 -21.499 8.493 1.00110.46 N ATOM 233 CA ASP A 26 -46.664 -22.550 7.501 1.00104.93 C ATOM 234 C ASP A 26 -47.609 -22.127 6.383 1.00100.19 C ATOM 235 O ASP A 26 -48.376 -22.942 5.871 1.00104.17 O ATOM 236 CB ASP A 26 -47.204 -23.814 8.176 1.00108.41 C ATOM 237 CG ASP A 26 -46.106 -24.681 8.756 1.00112.55 C ATOM 238 OD1 ASP A 26 -45.016 -24.147 9.052 1.00116.05 O ATOM 239 OD2 ASP A 26 -46.333 -25.899 8.912 1.00114.90 O ATOM 240 H ASP A 26 -45.465 -21.213 8.704 1.00 0.00 H ATOM 241 N GLU A 27 -47.560 -20.854 6.009 1.00 85.49 N ATOM 242 CA GLU A 27 -48.393 -20.363 4.920 1.00 80.68 C ATOM 243 C GLU A 27 -47.581 -20.196 3.643 1.00 82.56 C ATOM 244 O GLU A 27 -46.352 -20.103 3.676 1.00 78.53 O ATOM 245 CB GLU A 27 -49.069 -19.044 5.301 1.00 93.11 C ATOM 246 CG GLU A 27 -50.193 -19.206 6.308 1.00104.04 C ATOM 247 CD GLU A 27 -51.155 -18.038 6.296 1.00108.72 C ATOM 248 OE1 GLU A 27 -50.699 -16.888 6.113 1.00104.65 O ATOM 249 OE2 GLU A 27 -52.370 -18.275 6.464 1.00121.34 O ATOM 250 H GLU A 27 -46.918 -20.199 6.500 1.00 0.00 H ATOM 251 N TRP A 28 -48.284 -20.167 2.516 1.00 88.27 N ATOM 252 CA TRP A 28 -47.643 -20.129 1.208 1.00 83.68 C ATOM 253 C TRP A 28 -47.570 -18.733 0.612 1.00 78.40 C ATOM 254 O TRP A 28 -48.472 -17.915 0.790 1.00 78.53 O ATOM 255 CB TRP A 28 -48.372 -21.061 0.242 1.00 76.25 C ATOM 256 CG TRP A 28 -48.107 -22.494 0.514 1.00 79.00 C ATOM 257 CD1 TRP A 28 -48.840 -23.330 1.306 1.00 71.29 C ATOM 258 CD2 TRP A 28 -47.017 -23.275 0.008 1.00 79.72 C ATOM 259 NE1 TRP A 28 -48.278 -24.584 1.316 1.00 78.10 N ATOM 260 CE2 TRP A 28 -47.157 -24.574 0.527 1.00 74.98 C ATOM 261 CE3 TRP A 28 -45.940 -22.996 -0.840 1.00 76.59 C ATOM 262 CZ2 TRP A 28 -46.260 -25.598 0.229 1.00 65.07 C ATOM 263 CZ3 TRP A 28 -45.052 -24.014 -1.134 1.00 78.77 C ATOM 264 CH2 TRP A 28 -45.216 -25.297 -0.602 1.00 77.93 C ATOM 265 HE1 TRP A 28 -48.644 -25.406 1.837 1.00 0.00 H ATOM 266 H TRP A 28 -49.323 -20.172 2.569 1.00 0.00 H ATOM 267 N PHE A 29 -46.484 -18.486 -0.111 1.00 79.59 N ATOM 268 CA PHE A 29 -46.241 -17.203 -0.748 1.00 77.52 C ATOM 269 C PHE A 29 -45.820 -17.391 -2.196 1.00 75.51 C ATOM 270 O PHE A 29 -45.143 -18.362 -2.528 1.00 74.56 O ATOM 271 CB PHE A 29 -45.149 -16.425 -0.009 1.00 84.69 C ATOM 272 CG PHE A 29 -45.405 -16.255 1.459 1.00 91.55 C ATOM 273 CD1 PHE A 29 -46.049 -15.129 1.937 1.00101.43 C ATOM 274 CD2 PHE A 29 -44.991 -17.218 2.363 1.00100.18 C ATOM 275 CE1 PHE A 29 -46.281 -14.968 3.291 1.00 92.66 C ATOM 276 CE2 PHE A 29 -45.221 -17.068 3.716 1.00100.98 C ATOM 277 CZ PHE A 29 -45.869 -15.939 4.183 1.00 80.95 C ATOM 278 H PHE A 29 -45.779 -19.242 -0.226 1.00 0.00 H ATOM 279 N HIS A 30 -46.222 -16.461 -3.055 1.00 78.35 N ATOM 280 CA HIS A 30 -45.644 -16.372 -4.386 1.00 63.66 C ATOM 281 C HIS A 30 -44.190 -15.943 -4.228 1.00 67.10 C ATOM 282 O HIS A 30 -43.909 -14.981 -3.515 1.00 71.16 O ATOM 283 CB HIS A 30 -46.401 -15.369 -5.256 1.00 77.81 C ATOM 284 CG HIS A 30 -47.846 -15.698 -5.450 1.00 71.75 C ATOM 285 ND1 HIS A 30 -48.853 -14.772 -5.257 1.00 70.42 N ATOM 286 CD2 HIS A 30 -48.461 -16.841 -5.837 1.00 65.41 C ATOM 287 CE1 HIS A 30 -50.019 -15.335 -5.508 1.00 75.21 C ATOM 288 NE2 HIS A 30 -49.812 -16.587 -5.864 1.00 72.01 N ATOM 289 H HIS A 30 -46.961 -15.787 -2.771 1.00 0.00 H ATOM 290 N GLN A 31 -43.269 -16.655 -4.873 1.00 76.06 N ATOM 291 CA GLN A 31 -41.847 -16.322 -4.775 1.00 71.42 C ATOM 292 C GLN A 31 -41.591 -14.880 -5.193 1.00 81.51 C ATOM 293 O GLN A 31 -40.788 -14.178 -4.581 1.00 75.51 O ATOM 294 CB GLN A 31 -41.004 -17.267 -5.632 1.00 73.62 C ATOM 295 CG GLN A 31 -40.922 -18.683 -5.099 1.00 76.41 C ATOM 296 CD GLN A 31 -40.001 -19.554 -5.928 1.00 75.69 C ATOM 297 OE1 GLN A 31 -39.397 -19.092 -6.897 1.00 84.12 O ATOM 298 NE2 GLN A 31 -39.889 -20.822 -5.552 1.00 71.88 N ATOM 299 HE22 GLN A 31 -40.419 -21.168 -4.727 1.00 0.00 H ATOM 300 HE21 GLN A 31 -39.272 -21.469 -6.083 1.00 0.00 H ATOM 301 H GLN A 31 -43.565 -17.463 -5.457 1.00 0.00 H ATOM 302 N VAL A 32 -42.288 -14.452 -6.239 1.00 75.23 N ATOM 303 CA VAL A 32 -42.204 -13.082 -6.727 1.00 67.10 C ATOM 304 C VAL A 32 -42.606 -12.077 -5.649 1.00 77.69 C ATOM 305 O VAL A 32 -41.931 -11.065 -5.455 1.00 86.71 O ATOM 306 CB VAL A 32 -43.092 -12.891 -7.980 1.00 83.60 C ATOM 307 CG1 VAL A 32 -43.465 -11.429 -8.175 1.00102.06 C ATOM 308 CG2 VAL A 32 -42.396 -13.450 -9.214 1.00 87.44 C ATOM 309 H VAL A 32 -42.917 -15.120 -6.728 1.00 0.00 H ATOM 310 N CYS A 33 -43.690 -12.373 -4.937 1.00 77.26 N ATOM 311 CA CYS A 33 -44.227 -11.457 -3.935 1.00 73.23 C ATOM 312 C CYS A 33 -43.303 -11.264 -2.731 1.00 84.71 C ATOM 313 O CYS A 33 -43.434 -10.284 -1.998 1.00100.46 O ATOM 314 CB CYS A 33 -45.595 -11.947 -3.459 1.00 75.36 C ATOM 315 SG CYS A 33 -46.883 -11.870 -4.715 1.00 75.85 S ATOM 316 H CYS A 33 -44.168 -13.282 -5.099 1.00 0.00 H ATOM 317 N VAL A 34 -42.371 -12.190 -2.527 1.00 80.89 N ATOM 318 CA VAL A 34 -41.433 -12.080 -1.413 1.00 80.04 C ATOM 319 C VAL A 34 -40.007 -11.849 -1.904 1.00 84.21 C ATOM 320 O VAL A 34 -39.072 -11.787 -1.106 1.00 86.72 O ATOM 321 CB VAL A 34 -41.463 -13.333 -0.519 1.00 91.73 C ATOM 322 CG1 VAL A 34 -42.857 -13.537 0.055 1.00 83.37 C ATOM 323 CG2 VAL A 34 -41.020 -14.553 -1.301 1.00 94.85 C ATOM 324 H VAL A 34 -42.309 -13.005 -3.170 1.00 0.00 H ATOM 325 N GLY A 35 -39.851 -11.726 -3.219 1.00 90.14 N ATOM 326 CA GLY A 35 -38.570 -11.402 -3.822 1.00 96.70 C ATOM 327 C GLY A 35 -37.470 -12.409 -3.550 1.00 85.19 C ATOM 328 O GLY A 35 -36.389 -12.043 -3.087 1.00 92.09 O ATOM 329 H GLY A 35 -40.675 -11.867 -3.837 1.00 0.00 H ATOM 330 N VAL A 36 -37.741 -13.679 -3.831 1.00 95.81 N ATOM 331 CA VAL A 36 -36.732 -14.718 -3.675 1.00104.17 C ATOM 332 C VAL A 36 -36.564 -15.493 -4.976 1.00 97.39 C ATOM 333 O VAL A 36 -37.475 -15.549 -5.803 1.00 96.35 O ATOM 334 CB VAL A 36 -37.081 -15.696 -2.538 1.00103.70 C ATOM 335 CG1 VAL A 36 -37.220 -14.948 -1.217 1.00112.76 C ATOM 336 CG2 VAL A 36 -38.351 -16.468 -2.864 1.00100.19 C ATOM 337 H VAL A 36 -38.691 -13.936 -4.168 1.00 0.00 H ATOM 338 N SER A 37 -35.389 -16.086 -5.152 1.00 99.98 N ATOM 339 CA SER A 37 -35.080 -16.825 -6.366 1.00103.50 C ATOM 340 C SER A 37 -35.176 -18.327 -6.112 1.00106.64 C ATOM 341 O SER A 37 -34.887 -18.788 -5.009 1.00112.78 O ATOM 342 CB SER A 37 -33.687 -16.447 -6.874 1.00108.49 C ATOM 343 OG SER A 37 -33.596 -15.052 -7.102 1.00122.67 O ATOM 344 HG SER A 37 -32.688 -14.831 -7.429 1.00 0.00 H ATOM 345 H SER A 37 -34.671 -16.020 -4.402 1.00 0.00 H ATOM 346 N PRO A 38 -35.596 -19.092 -7.135 1.00105.12 N ATOM 347 CA PRO A 38 -35.770 -20.550 -7.073 1.00 97.71 C ATOM 348 C PRO A 38 -34.609 -21.289 -6.403 1.00105.13 C ATOM 349 O PRO A 38 -34.835 -22.266 -5.686 1.00113.16 O ATOM 350 CB PRO A 38 -35.879 -20.940 -8.546 1.00101.37 C ATOM 351 CG PRO A 38 -36.520 -19.757 -9.181 1.00 84.24 C ATOM 352 CD PRO A 38 -35.984 -18.553 -8.452 1.00 94.06 C ATOM 353 N GLU A 39 -33.386 -20.822 -6.631 1.00106.71 N ATOM 354 CA GLU A 39 -32.211 -21.414 -6.001 1.00111.43 C ATOM 355 C GLU A 39 -32.257 -21.177 -4.495 1.00109.55 C ATOM 356 O GLU A 39 -32.039 -22.097 -3.707 1.00113.21 O ATOM 357 CB GLU A 39 -30.922 -20.836 -6.590 1.00120.71 C ATOM 358 CG GLU A 39 -31.034 -20.410 -8.046 1.00123.21 C ATOM 359 CD GLU A 39 -31.598 -19.009 -8.197 1.00124.72 C ATOM 360 OE1 GLU A 39 -30.986 -18.063 -7.658 1.00131.69 O ATOM 361 OE2 GLU A 39 -32.660 -18.860 -8.839 1.00119.53 O ATOM 362 H GLU A 39 -33.263 -20.014 -7.275 1.00 0.00 H ATOM 363 N MET A 40 -32.552 -19.940 -4.102 1.00102.61 N ATOM 364 CA MET A 40 -32.716 -19.601 -2.692 1.00108.45 C ATOM 365 C MET A 40 -33.860 -20.401 -2.084 1.00104.73 C ATOM 366 O MET A 40 -33.856 -20.710 -0.894 1.00104.98 O ATOM 367 CB MET A 40 -32.986 -18.104 -2.517 1.00109.09 C ATOM 368 CG MET A 40 -31.917 -17.186 -3.082 1.00118.36 C ATOM 369 SD MET A 40 -32.309 -15.445 -2.821 1.00134.34 S ATOM 370 CE MET A 40 -32.555 -15.422 -1.048 1.00118.01 C ATOM 371 H MET A 40 -32.669 -19.195 -4.819 1.00 0.00 H ATOM 372 N ALA A 41 -34.840 -20.731 -2.917 1.00105.57 N ATOM 373 CA ALA A 41 -36.013 -21.471 -2.477 1.00107.42 C ATOM 374 C ALA A 41 -35.681 -22.930 -2.167 1.00106.76 C ATOM 375 O ALA A 41 -36.079 -23.456 -1.128 1.00103.41 O ATOM 376 CB ALA A 41 -37.106 -21.389 -3.530 1.00104.29 C ATOM 377 H ALA A 41 -34.767 -20.452 -3.916 1.00 0.00 H ATOM 378 N GLU A 42 -34.946 -23.579 -3.065 1.00 98.64 N ATOM 379 CA GLU A 42 -34.679 -25.008 -2.929 1.00107.17 C ATOM 380 C GLU A 42 -33.461 -25.320 -2.067 1.00114.69 C ATOM 381 O GLU A 42 -33.368 -26.407 -1.502 1.00116.82 O ATOM 382 CB GLU A 42 -34.507 -25.642 -4.309 1.00114.60 C ATOM 383 CG GLU A 42 -35.820 -26.039 -4.957 1.00112.08 C ATOM 384 CD GLU A 42 -35.780 -25.964 -6.468 1.00123.59 C ATOM 385 OE1 GLU A 42 -34.682 -26.096 -7.047 1.00131.83 O ATOM 386 OE2 GLU A 42 -36.853 -25.761 -7.073 1.00114.25 O ATOM 387 H GLU A 42 -34.555 -23.060 -3.877 1.00 0.00 H ATOM 388 N ASN A 43 -32.537 -24.372 -1.953 1.00114.88 N ATOM 389 CA ASN A 43 -31.278 -24.642 -1.263 1.00110.33 C ATOM 390 C ASN A 43 -31.254 -24.233 0.210 1.00109.47 C ATOM 391 O ASN A 43 -30.548 -24.847 1.011 1.00119.79 O ATOM 392 CB ASN A 43 -30.127 -23.958 -2.001 1.00113.78 C ATOM 393 CG ASN A 43 -29.934 -24.502 -3.405 1.00117.85 C ATOM 394 OD1 ASN A 43 -30.814 -25.169 -3.950 1.00118.16 O ATOM 395 ND2 ASN A 43 -28.781 -24.219 -3.998 1.00124.37 N ATOM 396 HD22 ASN A 43 -28.066 -23.652 -3.500 1.00 0.00 H ATOM 397 HD21 ASN A 43 -28.593 -24.564 -4.961 1.00 0.00 H ATOM 398 H ASN A 43 -32.711 -23.430 -2.358 1.00 0.00 H ATOM 399 N GLU A 44 -32.015 -23.204 0.570 1.00109.99 N ATOM 400 CA GLU A 44 -32.014 -22.728 1.951 1.00117.90 C ATOM 401 C GLU A 44 -33.422 -22.506 2.491 1.00106.29 C ATOM 402 O GLU A 44 -34.399 -22.531 1.743 1.00115.20 O ATOM 403 CB GLU A 44 -31.200 -21.437 2.065 1.00124.08 C ATOM 404 CG GLU A 44 -31.915 -20.199 1.560 1.00122.74 C ATOM 405 CD GLU A 44 -30.978 -19.024 1.370 1.00139.10 C ATOM 406 OE1 GLU A 44 -30.023 -19.152 0.576 1.00137.74 O ATOM 407 OE2 GLU A 44 -31.195 -17.975 2.014 1.00146.66 O ATOM 408 H GLU A 44 -32.616 -22.734 -0.137 1.00 0.00 H ATOM 409 N ASP A 45 -33.516 -22.294 3.799 1.00 99.03 N ATOM 410 CA ASP A 45 -34.801 -22.088 4.455 1.00103.25 C ATOM 411 C ASP A 45 -35.366 -20.701 4.172 1.00100.64 C ATOM 412 O ASP A 45 -34.634 -19.785 3.797 1.00105.87 O ATOM 413 CB ASP A 45 -34.668 -22.292 5.966 1.00103.80 C ATOM 414 CG ASP A 45 -34.187 -23.682 6.326 1.00115.93 C ATOM 415 OD1 ASP A 45 -34.383 -24.608 5.512 1.00123.56 O ATOM 416 OD2 ASP A 45 -33.616 -23.849 7.425 1.00116.74 O ATOM 417 H ASP A 45 -32.648 -22.274 4.371 1.00 0.00 H ATOM 418 N TYR A 46 -36.675 -20.554 4.355 1.00 99.27 N ATOM 419 CA TYR A 46 -37.310 -19.248 4.245 1.00101.18 C ATOM 420 C TYR A 46 -38.106 -18.913 5.498 1.00 95.09 C ATOM 421 O TYR A 46 -39.049 -19.621 5.857 1.00 90.57 O ATOM 422 CB TYR A 46 -38.231 -19.177 3.022 1.00109.90 C ATOM 423 CG TYR A 46 -38.947 -17.847 2.901 1.00 99.50 C ATOM 424 CD1 TYR A 46 -38.287 -16.726 2.422 1.00 97.67 C ATOM 425 CD2 TYR A 46 -40.278 -17.710 3.277 1.00103.28 C ATOM 426 CE1 TYR A 46 -38.930 -15.505 2.316 1.00101.79 C ATOM 427 CE2 TYR A 46 -40.929 -16.493 3.175 1.00 96.73 C ATOM 428 CZ TYR A 46 -40.250 -15.394 2.694 1.00 97.78 C ATOM 429 OH TYR A 46 -40.890 -14.180 2.590 1.00104.83 O ATOM 430 HH TYR A 46 -40.261 -13.506 2.230 1.00 0.00 H ATOM 431 H TYR A 46 -37.256 -21.387 4.581 1.00 0.00 H ATOM 432 N ILE A 47 -37.719 -17.828 6.159 1.00100.08 N ATOM 433 CA ILE A 47 -38.501 -17.285 7.259 1.00 99.63 C ATOM 434 C ILE A 47 -39.233 -16.049 6.752 1.00 92.22 C ATOM 435 O ILE A 47 -38.600 -15.101 6.287 1.00 95.68 O ATOM 436 CB ILE A 47 -37.623 -16.904 8.470 1.00102.07 C ATOM 437 CG1 ILE A 47 -36.389 -17.808 8.562 1.00 85.15 C ATOM 438 CG2 ILE A 47 -38.444 -16.932 9.752 1.00 97.70 C ATOM 439 CD1 ILE A 47 -36.684 -19.240 8.940 1.00 81.78 C ATOM 440 H ILE A 47 -36.835 -17.355 5.883 1.00 0.00 H ATOM 441 N CYS A 48 -40.561 -16.057 6.830 1.00 99.72 N ATOM 442 CA CYS A 48 -41.351 -14.915 6.380 1.00106.82 C ATOM 443 C CYS A 48 -41.146 -13.719 7.305 1.00104.36 C ATOM 444 O CYS A 48 -40.407 -13.794 8.283 1.00104.56 O ATOM 445 CB CYS A 48 -42.835 -15.275 6.303 1.00105.79 C ATOM 446 SG CYS A 48 -43.707 -15.186 7.879 1.00101.00 S ATOM 447 H CYS A 48 -41.045 -16.892 7.218 1.00 0.00 H ATOM 448 N ILE A 49 -41.799 -12.608 6.994 1.00 97.52 N ATOM 449 CA ILE A 49 -41.627 -11.398 7.790 1.00112.67 C ATOM 450 C ILE A 49 -42.247 -11.529 9.192 1.00116.58 C ATOM 451 O ILE A 49 -41.660 -11.080 10.180 1.00115.03 O ATOM 452 CB ILE A 49 -42.215 -10.168 7.055 1.00111.01 C ATOM 453 CG1 ILE A 49 -42.164 -8.927 7.947 1.00120.78 C ATOM 454 CG2 ILE A 49 -43.648 -10.427 6.580 1.00103.66 C ATOM 455 CD1 ILE A 49 -40.773 -8.317 8.093 1.00118.41 C ATOM 456 H ILE A 49 -42.440 -12.599 6.175 1.00 0.00 H ATOM 457 N ASN A 50 -43.409 -12.170 9.282 1.00116.57 N ATOM 458 CA ASN A 50 -44.067 -12.363 10.571 1.00106.45 C ATOM 459 C ASN A 50 -43.343 -13.383 11.448 1.00105.57 C ATOM 460 O ASN A 50 -43.364 -13.277 12.673 1.00115.80 O ATOM 461 CB ASN A 50 -45.525 -12.795 10.379 1.00101.20 C ATOM 462 CG ASN A 50 -46.399 -11.686 9.822 1.00119.45 C ATOM 463 OD1 ASN A 50 -46.117 -10.501 10.006 1.00114.26 O ATOM 464 ND2 ASN A 50 -47.474 -12.069 9.144 1.00122.85 N ATOM 465 HD22 ASN A 50 -47.673 -13.081 9.013 1.00 0.00 H ATOM 466 HD21 ASN A 50 -48.117 -11.357 8.744 1.00 0.00 H ATOM 467 H ASN A 50 -43.857 -12.540 8.419 1.00 0.00 H ATOM 468 N CYS A 51 -42.710 -14.372 10.823 1.00113.85 N ATOM 469 CA CYS A 51 -42.048 -15.441 11.567 1.00113.73 C ATOM 470 C CYS A 51 -40.588 -15.119 11.872 1.00117.32 C ATOM 471 O CYS A 51 -39.916 -15.860 12.590 1.00123.67 O ATOM 472 CB CYS A 51 -42.146 -16.758 10.796 1.00109.76 C ATOM 473 SG CYS A 51 -43.819 -17.432 10.686 1.00127.42 S ATOM 474 H CYS A 51 -42.686 -14.385 9.783 1.00 0.00 H ATOM 475 N ALA A 52 -40.100 -14.012 11.323 1.00117.65 N ATOM 476 CA ALA A 52 -38.732 -13.581 11.573 1.00120.42 C ATOM 477 C ALA A 52 -38.602 -12.997 12.975 1.00129.84 C ATOM 478 O ALA A 52 -39.598 -12.786 13.667 1.00123.18 O ATOM 479 CB ALA A 52 -38.295 -12.565 10.528 1.00117.27 C ATOM 480 OXT ALA A 52 -37.500 -12.723 13.450 1.00129.78 O ATOM 481 H ALA A 52 -40.708 -13.441 10.702 1.00 0.00 H TER 482 ALA A 52 HETATM 483 ZN ZN A 1 -48.701 -13.170 -3.968 1.00 75.11 ZN HETATM 484 ZN ZN A 2 -44.322 -17.446 8.351 1.00 98.67 ZN HETATM 485 N ALA A 3 -36.409 -24.197 0.991 1.00 0.24 N HETATM 486 CA ALA A 3 -37.543 -24.709 1.752 1.00 0.06 C HETATM 487 C ALA A 3 -38.507 -25.471 0.852 1.00 0.23 C HETATM 488 O ALA A 3 -38.149 -25.875 -0.253 1.00 -0.39 O HETATM 489 N ALA A 3 -39.730 -25.668 1.334 1.00 -0.26 N HETATM 490 CA ALA A 3 -40.771 -26.322 0.551 1.00 0.13 C HETATM 491 C ALA A 3 -41.272 -25.398 -0.552 1.00 0.20 C HETATM 492 O ALA A 3 -41.766 -24.304 -0.281 1.00 -0.39 O HETATM 493 N ALA A 3 -41.141 -25.838 -1.798 1.00 -0.26 N HETATM 494 CA ALA A 3 -41.604 -25.042 -2.928 1.00 0.16 C HETATM 495 C ALA A 3 -42.756 -25.728 -3.653 1.00 0.21 C HETATM 496 O ALA A 3 -43.081 -26.884 -3.366 1.00 -0.39 O HETATM 497 N ALA A 3 -43.376 -25.007 -4.582 1.00 -0.26 N HETATM 498 CA ALA A 3 -44.503 -25.513 -5.283 1.00 0.13 C HETATM 499 CB ALA A 3 -45.720 -25.300 -4.415 1.00 -0.01 C HETATM 500 CG ALA A 3 -47.007 -25.780 -5.055 1.00 -0.05 C HETATM 501 CD ALA A 3 -48.172 -25.736 -4.085 1.00 -0.05 C HETATM 502 CE ALA A 3 -48.590 -24.316 -3.762 1.00 -0.05 C HETATM 503 CZ ALA A 3 -49.912 -24.259 -3.028 1.00 -0.04 C HETATM 504 CM3 ALA A 3 -51.014 -24.795 -3.913 1.00 -0.06 C HETATM 505 H38 ALA A 3 -51.972 -24.751 -3.374 1.00 0.02 H HETATM 506 H39 ALA A 3 -50.793 -25.838 -4.183 1.00 0.02 H HETATM 507 H40 ALA A 3 -51.079 -24.186 -4.827 1.00 0.02 H HETATM 508 CM2 ALA A 3 -49.833 -25.088 -1.765 1.00 -0.06 C HETATM 509 H41 ALA A 3 -49.031 -24.699 -1.120 1.00 0.02 H HETATM 510 H42 ALA A 3 -49.618 -26.135 -2.026 1.00 0.02 H HETATM 511 H43 ALA A 3 -50.793 -25.034 -1.230 1.00 0.02 H HETATM 512 CM1 ALA A 3 -50.214 -22.822 -2.670 1.00 -0.06 C HETATM 513 H44 ALA A 3 -50.271 -22.220 -3.589 1.00 0.02 H HETATM 514 H45 ALA A 3 -49.415 -22.430 -2.023 1.00 0.02 H HETATM 515 H46 ALA A 3 -51.175 -22.771 -2.138 1.00 0.02 H HETATM 516 H36 ALA A 3 -48.683 -23.752 -4.702 1.00 0.03 H HETATM 517 H37 ALA A 3 -47.816 -23.854 -3.132 1.00 0.03 H HETATM 518 H34 ALA A 3 -47.877 -26.240 -3.153 1.00 0.03 H HETATM 519 H35 ALA A 3 -49.027 -26.264 -4.533 1.00 0.03 H HETATM 520 H32 ALA A 3 -46.869 -26.816 -5.398 1.00 0.03 H HETATM 521 H33 ALA A 3 -47.237 -25.136 -5.917 1.00 0.03 H HETATM 522 H30 ALA A 3 -45.815 -24.224 -4.205 1.00 0.03 H HETATM 523 H31 ALA A 3 -45.575 -25.846 -3.471 1.00 0.03 H HETATM 524 C ALA A 3 -44.672 -24.735 -6.567 1.00 0.20 C HETATM 525 O ALA A 3 -44.380 -23.553 -6.608 1.00 -0.39 O HETATM 526 N ALA A 3 -45.133 -25.405 -7.620 1.00 -0.26 N HETATM 527 CA ALA A 3 -45.428 -24.726 -8.879 1.00 0.13 C HETATM 528 C ALA A 3 -46.869 -24.988 -9.309 1.00 0.20 C HETATM 529 O ALA A 3 -47.284 -26.139 -9.465 1.00 -0.39 O HETATM 530 N ALA A 3 -47.627 -23.915 -9.502 1.00 -0.26 N HETATM 531 CA ALA A 3 -49.029 -24.035 -9.873 1.00 0.16 C HETATM 532 C ALA A 3 -49.256 -23.657 -11.330 1.00 0.21 C HETATM 533 O ALA A 3 -48.848 -22.588 -11.777 1.00 -0.39 O HETATM 534 N ALA A 3 -49.909 -24.549 -12.067 1.00 -0.27 N HETATM 535 CA ALA A 3 -50.240 -24.308 -13.467 1.00 0.09 C HETATM 536 C ALA A 3 -51.745 -24.406 -13.687 1.00 0.06 C HETATM 537 O ALA A 3 -52.506 -23.570 -13.202 1.00 -0.57 O HETATM 538 OXT ALA A 3 -52.224 -25.323 -14.353 1.00 -0.57 O HETATM 539 CB ALA A 3 -49.508 -25.290 -14.365 1.00 -0.03 C HETATM 540 H64 ALA A 3 -49.770 -25.092 -15.415 1.00 0.03 H HETATM 541 H65 ALA A 3 -49.801 -26.317 -14.101 1.00 0.03 H HETATM 542 H66 ALA A 3 -48.423 -25.172 -14.230 1.00 0.03 H HETATM 543 H63 ALA A 3 -49.916 -23.290 -13.729 1.00 0.07 H HETATM 544 H62 ALA A 3 -50.183 -25.415 -11.648 1.00 0.19 H HETATM 545 CB ALA A 3 -49.916 -23.159 -8.972 1.00 0.09 C HETATM 546 OG1 ALA A 3 -50.135 -23.830 -7.726 1.00 -0.39 O HETATM 547 H58 ALA A 3 -50.683 -23.290 -7.169 1.00 0.21 H HETATM 548 CG2 ALA A 3 -51.257 -22.890 -9.619 1.00 -0.03 C HETATM 549 H59 ALA A 3 -51.867 -22.263 -8.952 1.00 0.03 H HETATM 550 H60 ALA A 3 -51.775 -23.843 -9.800 1.00 0.03 H HETATM 551 H61 ALA A 3 -51.105 -22.368 -10.575 1.00 0.03 H HETATM 552 H57 ALA A 3 -49.406 -22.202 -8.789 1.00 0.06 H HETATM 553 H56 ALA A 3 -49.327 -25.085 -9.738 1.00 0.08 H HETATM 554 H55 ALA A 3 -47.226 -23.006 -9.390 1.00 0.19 H HETATM 555 CB ALA A 3 -44.465 -25.164 -9.985 1.00 0.00 C HETATM 556 CG ALA A 3 -44.599 -24.331 -11.256 1.00 0.04 C HETATM 557 CD ALA A 3 -43.604 -24.717 -12.331 1.00 0.17 C HETATM 558 OE1 ALA A 3 -43.934 -25.452 -13.260 1.00 -0.40 O HETATM 559 NE2 ALA A 3 -42.383 -24.213 -12.217 1.00 -0.30 N HETATM 560 H53 ALA A 3 -41.685 -24.434 -12.898 1.00 0.18 H HETATM 561 H54 ALA A 3 -42.160 -23.612 -11.450 1.00 0.18 H HETATM 562 H51 ALA A 3 -44.443 -23.273 -10.999 1.00 0.05 H HETATM 563 H52 ALA A 3 -45.615 -24.465 -11.656 1.00 0.05 H HETATM 564 H49 ALA A 3 -44.670 -26.216 -10.232 1.00 0.03 H HETATM 565 H50 ALA A 3 -43.435 -25.069 -9.611 1.00 0.03 H HETATM 566 H48 ALA A 3 -45.304 -23.644 -8.722 1.00 0.08 H HETATM 567 H47 ALA A 3 -45.280 -26.392 -7.548 1.00 0.19 H HETATM 568 H29 ALA A 3 -44.370 -26.583 -5.502 1.00 0.08 H HETATM 569 H28 ALA A 3 -43.042 -24.088 -4.792 1.00 0.19 H HETATM 570 CB ALA A 3 -40.471 -24.768 -3.932 1.00 0.09 C HETATM 571 OG1 ALA A 3 -40.161 -25.968 -4.649 1.00 -0.39 O HETATM 572 H24 ALA A 3 -39.461 -25.794 -5.268 1.00 0.21 H HETATM 573 CG2 ALA A 3 -39.228 -24.278 -3.215 1.00 -0.03 C HETATM 574 H25 ALA A 3 -38.432 -24.088 -3.950 1.00 0.03 H HETATM 575 H26 ALA A 3 -38.892 -25.043 -2.499 1.00 0.03 H HETATM 576 H27 ALA A 3 -39.459 -23.347 -2.676 1.00 0.03 H HETATM 577 H23 ALA A 3 -40.802 -23.997 -4.643 1.00 0.06 H HETATM 578 H22 ALA A 3 -41.963 -24.078 -2.539 1.00 0.08 H HETATM 579 H21 ALA A 3 -40.718 -26.729 -1.964 1.00 0.19 H HETATM 580 CB ALA A 3 -41.933 -26.741 1.450 1.00 -0.01 C HETATM 581 CG ALA A 3 -41.642 -27.933 2.346 1.00 -0.02 C HETATM 582 CD ALA A 3 -42.635 -28.002 3.494 1.00 0.06 C HETATM 583 NE ALA A 3 -42.405 -26.938 4.467 1.00 -0.27 N HETATM 584 CZ ALA A 3 -43.214 -26.667 5.484 1.00 0.29 C HETATM 585 NH1 ALA A 3 -44.317 -27.377 5.662 1.00 -0.28 N HETATM 586 H17 ALA A 3 -44.944 -27.166 6.452 1.00 0.26 H HETATM 587 H18 ALA A 3 -44.548 -28.141 5.011 1.00 0.26 H HETATM 588 NH2 ALA A 3 -42.924 -25.682 6.321 1.00 -0.28 N HETATM 589 H19 ALA A 3 -42.067 -25.127 6.186 1.00 0.26 H HETATM 590 H20 ALA A 3 -43.556 -25.471 7.107 1.00 0.26 H HETATM 591 H16 ALA A 3 -41.560 -26.360 4.357 1.00 0.26 H HETATM 592 H14 ALA A 3 -42.532 -28.975 3.997 1.00 0.07 H HETATM 593 H15 ALA A 3 -43.654 -27.904 3.091 1.00 0.07 H HETATM 594 H12 ALA A 3 -40.625 -27.837 2.754 1.00 0.03 H HETATM 595 H13 ALA A 3 -41.713 -28.856 1.752 1.00 0.03 H HETATM 596 H10 ALA A 3 -42.789 -26.995 0.808 1.00 0.03 H HETATM 597 H11 ALA A 3 -42.196 -25.887 2.091 1.00 0.03 H HETATM 598 H9 ALA A 3 -40.344 -27.223 0.087 1.00 0.08 H HETATM 599 H8 ALA A 3 -39.942 -25.358 2.261 1.00 0.19 H HETATM 600 CB ALA A 3 -38.263 -23.578 2.449 1.00 -0.00 C HETATM 601 H5 ALA A 3 -39.114 -23.980 3.018 1.00 0.03 H HETATM 602 H6 ALA A 3 -38.629 -22.860 1.700 1.00 0.03 H HETATM 603 H7 ALA A 3 -37.570 -23.070 3.136 1.00 0.03 H HETATM 604 H4 ALA A 3 -37.161 -25.402 2.516 1.00 0.11 H HETATM 605 H1 ALA A 3 -35.788 -23.698 1.608 1.00 0.20 H HETATM 606 H2 ALA A 3 -36.741 -23.573 0.272 1.00 0.20 H HETATM 607 H3 ALA A 3 -35.914 -24.966 0.567 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 24 23 483 CONECT 66 65 483 CONECT 204 203 484 CONECT 230 229 484 CONECT 285 284 287 483 CONECT 315 314 483 CONECT 446 445 484 CONECT 473 472 484 CONECT 483 24 66 285 315 CONECT 484 204 230 446 473 CONECT 485 486 605 606 607 CONECT 486 485 487 600 604 CONECT 487 486 488 489 CONECT 488 487 CONECT 489 487 490 599 CONECT 490 489 491 580 598 CONECT 491 490 492 493 CONECT 492 491 CONECT 493 491 494 579 CONECT 494 493 495 570 578 CONECT 495 494 496 497 CONECT 496 495 CONECT 497 495 498 569 CONECT 498 497 499 524 568 CONECT 499 498 500 522 523 CONECT 500 499 501 520 521 CONECT 501 500 502 518 519 CONECT 502 501 503 516 517 CONECT 503 502 504 508 512 CONECT 504 503 505 506 507 CONECT 505 504 CONECT 506 504 CONECT 507 504 CONECT 508 503 509 510 511 CONECT 509 508 CONECT 510 508 CONECT 511 508 CONECT 512 503 513 514 515 CONECT 513 512 CONECT 514 512 CONECT 515 512 CONECT 516 502 CONECT 517 502 CONECT 518 501 CONECT 519 501 CONECT 520 500 CONECT 521 500 CONECT 522 499 CONECT 523 499 CONECT 524 498 525 526 CONECT 525 524 CONECT 526 524 527 567 CONECT 527 526 528 555 566 CONECT 528 527 529 530 CONECT 529 528 CONECT 530 528 531 554 CONECT 531 530 532 545 553 CONECT 532 531 533 534 CONECT 533 532 CONECT 534 532 535 544 CONECT 535 534 536 539 543 CONECT 536 535 537 538 CONECT 537 536 CONECT 538 536 CONECT 539 535 540 541 542 CONECT 540 539 CONECT 541 539 CONECT 542 539 CONECT 543 535 CONECT 544 534 CONECT 545 531 546 548 552 CONECT 546 545 547 CONECT 547 546 CONECT 548 545 549 550 551 CONECT 549 548 CONECT 550 548 CONECT 551 548 CONECT 552 545 CONECT 553 531 CONECT 554 530 CONECT 555 527 556 564 565 CONECT 556 555 557 562 563 CONECT 557 556 558 559 CONECT 558 557 CONECT 559 557 560 561 CONECT 560 559 CONECT 561 559 CONECT 562 556 CONECT 563 556 CONECT 564 555 CONECT 565 555 CONECT 566 527 CONECT 567 526 CONECT 568 498 CONECT 569 497 CONECT 570 494 571 573 577 CONECT 571 570 572 CONECT 572 571 CONECT 573 570 574 575 576 CONECT 574 573 CONECT 575 573 CONECT 576 573 CONECT 577 570 CONECT 578 494 CONECT 579 493 CONECT 580 490 581 596 597 CONECT 581 580 582 594 595 CONECT 582 581 583 592 593 CONECT 583 582 584 591 CONECT 584 583 585 588 CONECT 585 584 586 587 CONECT 586 585 CONECT 587 585 CONECT 588 584 589 590 CONECT 589 588 CONECT 590 588 CONECT 591 583 CONECT 592 582 CONECT 593 582 CONECT 594 581 CONECT 595 581 CONECT 596 580 CONECT 597 580 CONECT 598 490 CONECT 599 489 CONECT 600 486 601 602 603 CONECT 601 600 CONECT 602 600 CONECT 603 600 CONECT 604 486 CONECT 605 485 CONECT 606 485 CONECT 607 485 MASTER 0 0 0 0 0 0 0 0 606 1 137 4 END
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Related entries of code: 5c11
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
52aa, >2KGI_1|Chain... *
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RCSB PDB
PDBbind
52aa, >3GL6_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
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PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
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4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
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4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
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4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
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4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
5c11
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Jarid1a PHD finger
Ligand Name
10-mer
EC.Number
E.C.1.14.11.-
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
Kd=0.34uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Nat Commun Vol. 6, pp: 8911
Ligand Properties
Formula
C
3
5
H
6
7
N
1
1
O
1
1
Molecular Weight
817.974
Exact Mass
817.502
No. of atoms
124
No. of bonds
123
Polar Surface Area
389.1
LOGP Value
-1.97 (
Computed with XLOGP3
)
-2.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 34
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 0
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCCC(C)(C)C
InChI String
InChI=1S/C35H65N11O11/c1-17(36)27(50)42-22(12-10-16-40-34(38)39)29(52)46-26(20(4)48)32(55)44-21(11-8-9-15-35(5,6)7)28(51)43-23(13-14-24(37)49)30(53)45-25(19(3)47)31(54)41-18(2)33(56)57/h17-23,25-26,47-48H,8-16,36H2,1-7H3,(H2,37,49)(H,41,54)(H,42,50)(H,43,51)(H,44,55)(H,45,53)(H,46,52)(H,56,57)(H4,38,39,40)/p+2/t17-,18-,19+,20+,21-,22-,23-,25-,26-/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):
P29375
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
5927
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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