Datasets
Models
222 lines (221 with data), 15.0 kB
HEADER LYASE/LYASE INHIBITOR 25-MAR-14 4P6P TITLE STRUCTURE OF RIBB COMPLEXED WITH INHIBITOR (4PEH) AND METAL IONS ATOM 1 N HIS A 137 -9.525 4.577 -13.659 1.00 7.19 N ATOM 2 CA HIS A 137 -10.009 5.557 -14.630 1.00 8.96 C ATOM 3 C HIS A 137 -8.995 5.874 -15.721 1.00 8.27 C ATOM 4 O HIS A 137 -9.185 6.806 -16.487 1.00 10.86 O ATOM 5 CB HIS A 137 -10.430 6.850 -13.916 1.00 7.78 C ATOM 6 CG HIS A 137 -11.517 6.639 -12.914 1.00 11.31 C ATOM 7 ND1 HIS A 137 -11.274 6.138 -11.653 1.00 14.11 N ATOM 8 CD2 HIS A 137 -12.856 6.827 -12.994 1.00 12.21 C ATOM 9 CE1 HIS A 137 -12.416 6.042 -10.995 1.00 13.68 C ATOM 10 NE2 HIS A 137 -13.391 6.453 -11.787 1.00 13.00 N TER 11 HIS A 137 ATOM 12 N ARG B 38 -16.053 11.321 1.515 1.00 8.20 N ATOM 13 CA ARG B 38 -15.917 10.249 0.525 1.00 8.87 C ATOM 14 C ARG B 38 -15.174 10.810 -0.697 1.00 11.93 C ATOM 15 O ARG B 38 -13.977 11.106 -0.618 1.00 12.36 O ATOM 16 CB ARG B 38 -17.290 9.674 0.146 1.00 9.62 C ATOM 17 CG ARG B 38 -17.253 8.333 -0.613 1.00 11.23 C ATOM 18 CD ARG B 38 -18.666 7.739 -0.795 1.00 11.96 C ATOM 19 NE ARG B 38 -18.641 6.529 -1.618 1.00 8.42 N ATOM 20 CZ ARG B 38 -18.704 6.527 -2.947 1.00 8.06 C ATOM 21 NH1 ARG B 38 -18.810 7.673 -3.631 1.00 7.44 N ATOM 22 NH2 ARG B 38 -18.656 5.372 -3.602 1.00 8.61 N ATOM 23 N GLU B 39 -15.870 10.990 -1.814 1.00 8.05 N ATOM 24 CA GLU B 39 -15.237 11.613 -2.972 1.00 9.51 C ATOM 25 C GLU B 39 -15.279 13.135 -2.901 1.00 9.52 C ATOM 26 O GLU B 39 -14.424 13.813 -3.470 1.00 10.08 O ATOM 27 CB GLU B 39 -15.908 11.150 -4.255 1.00 7.65 C ATOM 28 CG GLU B 39 -15.801 9.659 -4.472 1.00 7.31 C ATOM 29 CD GLU B 39 -16.298 9.275 -5.834 1.00 9.91 C ATOM 30 OE1 GLU B 39 -17.532 9.250 -6.019 1.00 6.79 O ATOM 31 OE2 GLU B 39 -15.450 9.039 -6.715 1.00 12.68 O TER 32 GLU B 39 ATOM 33 N GLU B 41 -17.321 14.882 -4.478 1.00 6.78 N ATOM 34 CA GLU B 41 -17.445 15.215 -5.896 1.00 7.39 C ATOM 35 C GLU B 41 -18.896 15.342 -6.312 1.00 7.77 C ATOM 36 O GLU B 41 -19.772 14.687 -5.746 1.00 7.83 O ATOM 37 CB GLU B 41 -16.763 14.157 -6.778 1.00 9.23 C ATOM 38 CG GLU B 41 -15.246 14.293 -6.797 1.00 8.93 C ATOM 39 CD GLU B 41 -14.551 13.271 -7.676 1.00 11.20 C ATOM 40 OE1 GLU B 41 -15.219 12.342 -8.197 1.00 9.68 O ATOM 41 OE2 GLU B 41 -13.320 13.403 -7.840 1.00 10.36 O TER 42 GLU B 41 ATOM 43 N ASP B 43 -21.494 14.833 -9.519 1.00 7.78 N ATOM 44 CA ASP B 43 -21.666 14.199 -10.824 1.00 8.01 C ATOM 45 C ASP B 43 -22.937 14.693 -11.493 1.00 10.04 C ATOM 46 O ASP B 43 -23.975 14.786 -10.838 1.00 7.38 O ATOM 47 CB ASP B 43 -21.770 12.678 -10.696 1.00 8.05 C ATOM 48 CG ASP B 43 -20.486 12.003 -10.235 1.00 11.22 C ATOM 49 OD1 ASP B 43 -19.623 12.648 -9.606 1.00 8.50 O ATOM 50 OD2 ASP B 43 -20.376 10.779 -10.483 1.00 12.19 O TER 51 ASP B 43 ATOM 52 N ILE B 66 -15.471 10.097 -18.837 1.00 8.04 N ATOM 53 CA ILE B 66 -15.665 8.682 -18.570 1.00 9.26 C ATOM 54 C ILE B 66 -17.122 8.537 -18.141 1.00 10.55 C ATOM 55 O ILE B 66 -17.449 8.490 -16.955 1.00 8.76 O ATOM 56 CB ILE B 66 -14.687 8.153 -17.511 1.00 13.46 C ATOM 57 CG1 ILE B 66 -13.247 8.441 -17.952 1.00 10.78 C ATOM 58 CG2 ILE B 66 -14.876 6.646 -17.298 1.00 11.23 C ATOM 59 CD1 ILE B 66 -12.210 8.272 -16.853 1.00 13.62 C TER 60 ILE B 66 ATOM 61 N CYS B 68 -20.557 6.995 -17.355 1.00 8.97 N ATOM 62 CA CYS B 68 -20.976 5.680 -16.886 1.00 9.82 C ATOM 63 C CYS B 68 -22.472 5.463 -17.025 1.00 7.27 C ATOM 64 O CYS B 68 -23.250 6.413 -17.021 1.00 9.52 O ATOM 65 CB CYS B 68 -20.586 5.474 -15.422 1.00 7.34 C ATOM 66 SG CYS B 68 -18.789 5.427 -15.121 1.00 10.62 S TER 67 CYS B 68 ATOM 68 N ASN B 92 -13.255 2.935 -3.813 1.00 18.00 N ATOM 69 CA ASN B 92 -14.679 2.867 -3.461 1.00 17.95 C ATOM 70 C ASN B 92 -15.357 1.570 -3.893 1.00 17.53 C ATOM 71 O ASN B 92 -16.581 1.440 -3.779 1.00 16.68 O ATOM 72 CB ASN B 92 -15.447 4.037 -4.086 1.00 14.52 C ATOM 73 CG ASN B 92 -14.991 5.385 -3.576 1.00 22.79 C ATOM 74 OD1 ASN B 92 -14.756 5.572 -2.376 1.00 23.02 O ATOM 75 ND2 ASN B 92 -14.865 6.343 -4.491 1.00 18.49 N TER 76 ASN B 92 ATOM 77 N THR B 94 -15.912 0.689 -6.868 1.00 12.79 N ATOM 78 CA THR B 94 -16.846 1.122 -7.913 1.00 13.92 C ATOM 79 C THR B 94 -17.102 -0.042 -8.858 1.00 12.97 C ATOM 80 O THR B 94 -16.162 -0.657 -9.346 1.00 11.49 O ATOM 81 CB THR B 94 -16.286 2.342 -8.673 1.00 14.29 C ATOM 82 OG1 THR B 94 -16.020 3.384 -7.731 1.00 19.58 O ATOM 83 CG2 THR B 94 -17.266 2.864 -9.732 1.00 10.84 C TER 84 THR B 94 ATOM 85 N PHE B 96 -17.559 -1.339 -11.793 1.00 9.40 N ATOM 86 CA PHE B 96 -17.397 -1.368 -13.247 1.00 8.79 C ATOM 87 C PHE B 96 -17.637 -2.758 -13.811 1.00 9.91 C ATOM 88 O PHE B 96 -17.021 -3.712 -13.360 1.00 10.73 O ATOM 89 CB PHE B 96 -15.985 -0.939 -13.656 1.00 8.00 C ATOM 90 CG PHE B 96 -15.718 0.522 -13.498 1.00 9.15 C ATOM 91 CD1 PHE B 96 -16.104 1.418 -14.485 1.00 10.39 C ATOM 92 CD2 PHE B 96 -15.047 0.995 -12.381 1.00 12.78 C ATOM 93 CE1 PHE B 96 -15.844 2.767 -14.351 1.00 15.21 C ATOM 94 CE2 PHE B 96 -14.778 2.349 -12.234 1.00 12.24 C ATOM 95 CZ PHE B 96 -15.176 3.235 -13.220 1.00 11.20 C TER 96 PHE B 96 ATOM 97 N LEU B 141 -22.151 0.359 -14.635 1.00 7.88 N ATOM 98 CA LEU B 141 -21.918 0.153 -13.214 1.00 9.44 C ATOM 99 C LEU B 141 -23.105 -0.596 -12.623 1.00 8.58 C ATOM 100 O LEU B 141 -24.254 -0.242 -12.878 1.00 10.05 O ATOM 101 CB LEU B 141 -21.735 1.493 -12.473 1.00 11.03 C ATOM 102 CG LEU B 141 -20.657 2.475 -12.958 1.00 8.80 C ATOM 103 CD1 LEU B 141 -20.829 3.844 -12.306 1.00 9.82 C ATOM 104 CD2 LEU B 141 -19.260 1.946 -12.692 1.00 11.65 C TER 105 LEU B 141 ATOM 106 N ARG B 151 -25.387 1.483 0.007 1.00 8.56 N ATOM 107 CA ARG B 151 -24.084 1.980 -0.425 1.00 8.75 C ATOM 108 C ARG B 151 -24.238 3.433 -0.819 1.00 9.19 C ATOM 109 O ARG B 151 -25.099 3.766 -1.630 1.00 9.45 O ATOM 110 CB ARG B 151 -23.529 1.186 -1.609 1.00 7.35 C ATOM 111 CG ARG B 151 -22.205 1.748 -2.153 1.00 8.71 C ATOM 112 CD ARG B 151 -21.648 0.871 -3.271 1.00 9.96 C ATOM 113 NE ARG B 151 -20.318 1.290 -3.719 1.00 7.49 N ATOM 114 CZ ARG B 151 -20.083 2.193 -4.674 1.00 9.42 C ATOM 115 NH1 ARG B 151 -21.090 2.794 -5.309 1.00 8.15 N ATOM 116 NH2 ARG B 151 -18.829 2.482 -5.019 1.00 8.82 N TER 117 ARG B 151 ATOM 118 N GLY B 153 -22.893 5.548 -2.810 1.00 7.85 N ATOM 119 CA GLY B 153 -22.204 5.969 -4.024 1.00 9.10 C ATOM 120 C GLY B 153 -23.113 6.718 -4.984 1.00 8.36 C ATOM 121 O GLY B 153 -24.338 6.606 -4.895 1.00 8.54 O ATOM 122 N HIS B 154 -22.521 7.484 -5.900 1.00 7.16 N ATOM 123 CA HIS B 154 -23.294 8.137 -6.954 1.00 6.83 C ATOM 124 C HIS B 154 -24.063 7.103 -7.784 1.00 6.64 C ATOM 125 O HIS B 154 -25.125 7.409 -8.306 1.00 6.81 O ATOM 126 CB HIS B 154 -22.411 8.961 -7.899 1.00 5.48 C ATOM 127 CG HIS B 154 -21.739 10.149 -7.267 1.00 8.87 C ATOM 128 ND1 HIS B 154 -20.395 10.170 -6.959 1.00 8.83 N ATOM 129 CD2 HIS B 154 -22.219 11.376 -6.938 1.00 5.85 C ATOM 130 CE1 HIS B 154 -20.076 11.353 -6.455 1.00 8.09 C ATOM 131 NE2 HIS B 154 -21.167 12.100 -6.423 1.00 8.88 N ATOM 132 N THR B 155 -23.515 5.897 -7.918 1.00 10.59 N ATOM 133 CA THR B 155 -24.184 4.827 -8.673 1.00 6.24 C ATOM 134 C THR B 155 -25.567 4.519 -8.093 1.00 9.20 C ATOM 135 O THR B 155 -26.556 4.481 -8.816 1.00 8.45 O ATOM 136 CB THR B 155 -23.375 3.507 -8.686 1.00 9.14 C ATOM 137 OG1 THR B 155 -22.035 3.742 -9.152 1.00 8.71 O ATOM 138 CG2 THR B 155 -24.053 2.496 -9.594 1.00 7.97 C ATOM 139 N GLU B 156 -25.613 4.286 -6.786 1.00 6.71 N ATOM 140 CA GLU B 156 -26.871 4.030 -6.085 1.00 8.02 C ATOM 141 C GLU B 156 -27.762 5.262 -6.092 1.00 6.66 C ATOM 142 O GLU B 156 -28.976 5.157 -6.259 1.00 8.91 O ATOM 143 CB GLU B 156 -26.601 3.588 -4.651 1.00 7.88 C ATOM 144 CG GLU B 156 -26.060 2.162 -4.539 1.00 9.85 C ATOM 145 CD GLU B 156 -24.637 2.034 -5.033 1.00 8.92 C ATOM 146 OE1 GLU B 156 -23.849 2.993 -4.863 1.00 9.11 O ATOM 147 OE2 GLU B 156 -24.306 0.975 -5.598 1.00 10.56 O TER 148 GLU B 156 ATOM 149 N LEU B 173 -24.055 8.994 -15.803 1.00 10.60 N ATOM 150 CA LEU B 173 -23.376 9.620 -14.687 1.00 10.36 C ATOM 151 C LEU B 173 -21.942 10.021 -15.033 1.00 11.95 C ATOM 152 O LEU B 173 -21.184 9.213 -15.573 1.00 11.09 O ATOM 153 CB LEU B 173 -23.409 8.636 -13.509 1.00 11.33 C ATOM 154 CG LEU B 173 -22.708 8.894 -12.193 1.00 14.21 C ATOM 155 CD1 LEU B 173 -23.511 9.907 -11.426 1.00 10.62 C ATOM 156 CD2 LEU B 173 -22.626 7.589 -11.409 1.00 9.97 C TER 157 LEU B 173 ATOM 158 N GLU B 175 -18.518 12.856 -13.666 1.00 8.97 N ATOM 159 CA GLU B 175 -17.985 13.791 -12.675 1.00 7.88 C ATOM 160 C GLU B 175 -17.715 15.178 -13.252 1.00 9.10 C ATOM 161 O GLU B 175 -16.942 15.307 -14.200 1.00 7.56 O ATOM 162 CB GLU B 175 -16.675 13.240 -12.092 1.00 9.37 C ATOM 163 CG GLU B 175 -16.747 11.812 -11.560 1.00 9.24 C ATOM 164 CD GLU B 175 -16.246 10.776 -12.565 1.00 13.01 C ATOM 165 OE1 GLU B 175 -16.546 10.908 -13.772 1.00 12.49 O ATOM 166 OE2 GLU B 175 -15.539 9.834 -12.149 1.00 11.97 O TER 167 GLU B 175 HETATM 168 O7 RES B 301 -19.612 7.145 -6.699 1.00 8.37 O HETATM 169 P RES B 301 -19.415 5.734 -7.209 1.00 9.67 P HETATM 170 O5 RES B 301 -20.747 5.024 -7.232 1.00 7.87 O HETATM 171 O6 RES B 301 -18.445 4.987 -6.333 1.00 10.76 O HETATM 172 O4 RES B 301 -18.767 5.798 -8.640 1.00 8.99 O HETATM 173 C4 RES B 301 -19.427 6.253 -9.767 1.00 9.29 C HETATM 174 C3 RES B 301 -19.207 7.663 -10.248 1.00 12.07 C HETATM 175 O3 RES B 301 -19.967 8.512 -9.480 1.00 11.29 O HETATM 176 C2 RES B 301 -17.806 8.184 -10.165 1.00 10.49 C HETATM 177 O2 RES B 301 -17.465 8.449 -8.846 1.00 11.34 O HETATM 178 C1 RES B 301 -16.811 7.296 -10.847 1.00 11.54 C HETATM 179 O1 RES B 301 -15.801 6.896 -10.272 1.00 9.78 O HETATM 180 N RES B 301 -17.038 6.932 -12.214 1.00 14.24 N HETATM 181 ON RES B 301 -16.180 6.183 -12.848 1.00 17.04 O HETATM 182 ZN ZN B 302 -18.850 8.784 -7.479 1.00 11.37 Zn HETATM 183 ZN ZN B 303 -15.481 8.025 -8.398 0.83 11.08 Zn HETATM 184 O HOH A 469 -13.590 7.355 -8.313 1.00 10.28 O HETATM 185 O HOH B 477 -17.766 11.248 -8.533 1.00 9.52 O HETATM 186 O HOH B 482 -14.842 9.709 -9.429 1.00 10.44 O HETATM 187 O HOH B 484 -20.539 1.341 -8.445 1.00 11.00 O HETATM 188 O HOH B 490 -15.870 6.208 -7.182 1.00 10.73 O HETATM 189 O HOH B 509 -18.696 8.746 -13.695 1.00 19.80 O HETATM 190 O HOH B 557 -15.671 8.112 -14.432 1.00 19.30 O CONECT 30 182 CONECT 31 183 CONECT 128 182 CONECT 178 176 179 180 CONECT 176 174 177 178 CONECT 174 173 175 176 CONECT 173 172 174 CONECT 180 178 181 CONECT 179 178 CONECT 179 183 CONECT 177 176 CONECT 177 182 183 CONECT 175 174 CONECT 175 182 CONECT 172 169 173 CONECT 170 169 CONECT 171 169 CONECT 168 169 CONECT 168 182 CONECT 181 180 CONECT 169 168 170 171 172 CONECT 182 177 128 175 30 CONECT 182 168 CONECT 183 177 179 184 186 CONECT 183 188 31 CONECT 184 183 CONECT 186 183 CONECT 188 183 END