data_15P # _chem_comp.id 15P _chem_comp.name "POLYETHYLENE GLYCOL (N=34)" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C69 H140 O35" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "PEG 1500" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-11-17 _chem_comp.pdbx_modified_date 2021-07-08 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 1529.829 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 15P _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag Y _chem_comp.pdbx_ideal_coordinates_details "OpenEye OEToolkits" _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1DBW _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal 15P OXT OXT O 0 1 N N N ? ? ? -44.036 -36.719 -17.368 OXT 15P 1 15P C1 C1 C 0 1 N N N ? ? ? -42.717 -36.285 -17.679 C1 15P 2 15P C2 C2 C 0 1 N N N ? ? ? -41.902 -36.226 -16.402 C2 15P 3 15P O1 O1 O 0 1 N N N ? ? ? -42.502 -35.294 -15.511 O1 15P 4 15P C3 C3 C 0 1 N N N ? ? ? -41.777 -35.197 -14.293 C3 15P 5 15P C4 C4 C 0 1 N N N ? ? ? -42.450 -34.175 -13.396 C4 15P 6 15P O2 O2 O 0 1 N N N ? ? ? -42.441 -32.910 -14.047 O2 15P 7 15P C5 C5 C 0 1 N N N ? ? ? -43.060 -31.911 -13.249 C5 15P 8 15P C6 C6 C 0 1 N N N ? ? ? -42.999 -30.585 -13.983 C6 15P 9 15P O3 O3 O 0 1 N N N ? ? ? -41.637 -30.234 -14.196 O3 15P 10 15P C7 C7 C 0 1 N N N ? ? ? -41.520 -28.996 -14.881 C7 15P 11 15P C8 C8 C 0 1 N N N ? ? ? -40.050 -28.665 -15.058 C8 15P 12 15P O4 O4 O 0 1 N N N ? ? ? -39.444 -28.549 -13.776 O4 15P 13 15P C9 C9 C 0 1 N N N ? ? ? -38.061 -28.239 -13.881 C9 15P 14 15P C10 C10 C 0 1 N N N ? ? ? -37.477 -28.105 -12.488 C10 15P 15 15P O5 O5 O 0 1 N N N ? ? ? -38.142 -27.049 -11.805 O5 15P 16 15P C11 C11 C 0 1 N N N ? ? ? -37.634 -26.878 -10.490 C11 15P 17 15P C12 C12 C 0 1 N N N ? ? ? -38.363 -25.727 -9.823 C12 15P 18 15P O6 O6 O 0 1 N N N ? ? ? -38.135 -24.538 -10.571 O6 15P 19 15P C13 C13 C 0 1 N N N ? ? ? -38.797 -23.423 -9.990 C13 15P 20 15P C14 C14 C 0 1 N N N ? ? ? -38.498 -22.186 -10.814 C14 15P 21 15P O7 O7 O 0 1 N N N ? ? ? -37.095 -21.952 -10.808 O7 15P 22 15P C15 C15 C 0 1 N N N ? ? ? -36.756 -20.800 -11.568 C15 15P 23 15P C16 C16 C 0 1 N N N ? ? ? -35.255 -20.589 -11.504 C16 15P 24 15P O8 O8 O 0 1 N N N ? ? ? -34.873 -20.384 -10.149 O8 15P 25 15P C17 C17 C 0 1 N N N ? ? ? -33.472 -20.180 -10.029 C17 15P 26 15P C18 C18 C 0 1 N N N ? ? ? -33.129 -19.945 -8.571 C18 15P 27 15P O9 O9 O 0 1 N N N ? ? ? -33.811 -18.782 -8.116 O9 15P 28 15P C19 C19 C 0 1 N N N ? ? ? -33.526 -18.512 -6.751 C19 15P 29 15P C20 C20 C 0 1 N N N ? ? ? -34.260 -17.253 -6.331 C20 15P 30 15P O10 O10 O 0 1 N N N ? ? ? -33.806 -16.165 -7.127 O10 15P 31 15P C21 C21 C 0 1 N N N ? ? ? -34.462 -14.954 -6.777 C21 15P 32 15P C22 C22 C 0 1 N N N ? ? ? -33.921 -13.831 -7.639 C22 15P 33 15P O11 O11 O 0 1 N N N ? ? ? -32.526 -13.692 -7.400 O11 15P 34 15P C23 C23 C 0 1 N N N ? ? ? -31.964 -12.649 -8.185 C23 15P 35 15P C24 C24 C 0 1 N N N ? ? ? -30.485 -12.534 -7.870 C24 15P 36 15P O12 O12 O 0 1 N N N ? ? ? -30.328 -12.219 -6.492 O12 15P 37 15P C25 C25 C 0 1 N N N ? ? ? -28.957 -12.098 -6.139 C25 15P 38 15P C26 C26 C 0 1 N N N ? ? ? -28.853 -11.739 -4.670 C26 15P 39 15P O13 O13 O 0 1 N N N ? ? ? -29.503 -10.493 -4.450 O13 15P 40 15P C27 C27 C 0 1 N N N ? ? ? -29.438 -10.105 -3.085 C27 15P 41 15P C28 C28 C 0 1 N N N ? ? ? -30.124 -8.763 -2.918 C28 15P 42 15P O14 O14 O 0 1 N N N ? ? ? -29.449 -7.794 -3.712 O14 15P 43 15P C29 C29 C 0 1 N N N ? ? ? -30.051 -6.513 -3.594 C29 15P 44 15P C30 C30 C 0 1 N N N ? ? ? -29.276 -5.522 -4.441 C30 15P 45 15P O15 O15 O 0 1 N N N ? ? ? -27.937 -5.454 -3.967 O15 15P 46 15P C31 C31 C 0 1 N N N ? ? ? -27.162 -4.537 -4.726 C31 15P 47 15P C32 C32 C 0 1 N N N ? ? ? -25.755 -4.491 -4.160 C32 15P 48 15P O16 O16 O 0 1 N N N ? ? ? -25.813 -4.047 -2.810 O16 15P 49 15P C33 C33 C 0 1 N N N ? ? ? -24.519 -3.984 -2.227 C33 15P 50 15P C34 C34 C 0 1 N N N ? ? ? -24.642 -3.485 -0.801 C34 15P 51 15P O17 O17 O 0 1 N N N ? ? ? -25.213 -2.182 -0.813 O17 15P 52 15P C35 C35 C 0 1 N N N ? ? ? -25.352 -1.662 0.502 C35 15P 53 15P C36 C36 C 0 1 N N N ? ? ? -25.963 -0.276 0.424 C36 15P 54 15P O18 O18 O 0 1 N N N ? ? ? -25.099 0.571 -0.324 O18 15P 55 15P C37 C37 C 0 1 N N N ? ? ? -25.634 1.881 -0.448 C37 15P 56 15P C38 C38 C 0 1 N N N ? ? ? -24.672 2.734 -1.252 C38 15P 57 15P O19 O19 O 0 1 N N N ? ? ? -23.427 2.801 -0.567 O19 15P 58 15P C39 C39 C 0 1 N N N ? ? ? -22.477 3.573 -1.288 C39 15P 59 15P C40 C40 C 0 1 N N N ? ? ? -21.175 3.607 -0.510 C40 15P 60 15P O20 O20 O 0 1 N N N ? ? ? -21.406 4.214 0.755 O20 15P 61 15P C41 C41 C 0 1 N N N ? ? ? -20.221 4.253 1.538 C41 15P 62 15P C42 C42 C 0 1 N N N ? ? ? -20.529 4.909 2.870 C42 15P 63 15P O21 O21 O 0 1 N N N ? ? ? -20.981 6.238 2.640 O21 15P 64 15P C43 C43 C 0 1 N N N ? ? ? -21.307 6.895 3.857 C43 15P 65 15P C44 C44 C 0 1 N N N ? ? ? -21.781 8.302 3.547 C44 15P 66 15P O22 O22 O 0 1 N N N ? ? ? -20.733 9.013 2.899 O22 15P 67 15P C45 C45 C 0 1 N N N ? ? ? -21.130 10.335 2.565 C45 15P 68 15P C46 C46 C 0 1 N N N ? ? ? -19.975 11.040 1.878 C46 15P 69 15P O23 O23 O 0 1 N N N ? ? ? -18.869 11.095 2.771 O23 15P 70 15P C47 C47 C 0 1 N N N ? ? ? -17.747 11.728 2.171 C47 15P 71 15P C48 C48 C 0 1 N N N ? ? ? -16.604 11.757 3.167 C48 15P 72 15P O24 O24 O 0 1 N N N ? ? ? -17.004 12.502 4.311 O24 15P 73 15P C49 C49 C 0 1 N N N ? ? ? -15.976 12.544 5.290 C49 15P 74 15P C50 C50 C 0 1 N N N ? ? ? -16.459 13.349 6.481 C50 15P 75 15P O25 O25 O 0 1 N N N ? ? ? -16.754 14.674 6.057 O25 15P 76 15P C51 C51 C 0 1 N N N ? ? ? -17.234 15.470 7.131 C51 15P 77 15P C52 C52 C 0 1 N N N ? ? ? -17.530 16.866 6.619 C52 15P 78 15P O26 O26 O 0 1 N N N ? ? ? -18.502 16.784 5.583 O26 15P 79 15P C53 C53 C 0 1 N N N ? ? ? -18.835 18.070 5.079 C53 15P 80 15P C54 C54 C 0 1 N N N ? ? ? -19.872 17.918 3.982 C54 15P 81 15P O27 O27 O 0 1 N N N ? ? ? -19.323 17.132 2.931 O27 15P 82 15P C55 C55 C 0 1 N N N ? ? ? -20.261 16.938 1.882 C55 15P 83 15P C56 C56 C 0 1 N N N ? ? ? -19.621 16.096 0.795 C56 15P 84 15P O28 O28 O 0 1 N N N ? ? ? -18.485 16.783 0.285 O28 15P 85 15P C57 C57 C 0 1 N N N ? ? ? -17.831 16.028 -0.725 C57 15P 86 15P C58 C58 C 0 1 N N N ? ? ? -16.632 16.809 -1.229 C58 15P 87 15P O29 O29 O 0 1 N N N ? ? ? -15.751 17.059 -0.141 O29 15P 88 15P C59 C59 C 0 1 N N N ? ? ? -14.596 17.772 -0.560 C59 15P 89 15P C60 C60 C 0 1 N N N ? ? ? -13.698 18.008 0.640 C60 15P 90 15P O30 O30 O 0 1 N N N ? ? ? -14.402 18.784 1.601 O30 15P 91 15P C61 C61 C 0 1 N N N ? ? ? -13.614 19.019 2.759 C61 15P 92 15P C62 C62 C 0 1 N N N ? ? ? -14.415 19.848 3.744 C62 15P 93 15P O31 O31 O 0 1 N N N ? ? ? -14.743 21.095 3.142 O31 15P 94 15P C63 C63 C 0 1 N N N ? ? ? -15.516 21.907 4.014 C63 15P 95 15P C64 C64 C 0 1 N N N ? ? ? -15.833 23.218 3.319 C64 15P 96 15P O32 O32 O 0 1 N N N ? ? ? -16.550 22.946 2.121 O32 15P 97 15P C65 C65 C 0 1 N N N ? ? ? -16.894 24.143 1.438 C65 15P 98 15P C66 C66 C 0 1 N N N ? ? ? -17.654 23.790 0.174 C66 15P 99 15P O33 O33 O 0 1 N N N ? ? ? -16.821 22.997 -0.663 O33 15P 100 15P C67 C67 C 0 1 N N N ? ? ? -17.491 22.617 -1.856 C67 15P 101 15P C68 C68 C 0 1 N N N ? ? ? -16.556 21.777 -2.704 C68 15P 102 15P O34 O34 O 0 1 N N N ? ? ? -15.411 22.551 -3.038 O34 15P 103 15P CM CM C 0 1 N N N ? ? ? -14.486 21.804 -3.817 CM 15P 104 15P HXT HXT H 0 1 N N N ? ? ? -44.166 -37.565 -17.824 HXT 15P 105 15P H11 H11 H 0 1 N N N ? ? ? -42.284 -36.994 -18.391 H11 15P 106 15P H21 H21 H 0 1 N N N ? ? ? -42.782 -35.294 -18.138 H21 15P 107 15P H12 H12 H 0 1 N N N ? ? ? -40.878 -35.894 -16.602 H12 15P 108 15P H22 H22 H 0 1 N N N ? ? ? -41.884 -37.204 -15.914 H22 15P 109 15P H13 H13 H 0 1 N N N ? ? ? -41.765 -36.186 -13.824 H13 15P 110 15P H23 H23 H 0 1 N N N ? ? ? -40.754 -34.887 -14.526 H23 15P 111 15P H14 H14 H 0 1 N N N ? ? ? -41.917 -34.073 -12.445 H14 15P 112 15P H24 H24 H 0 1 N N N ? ? ? -43.490 -34.457 -13.208 H24 15P 113 15P H15 H15 H 0 1 N N N ? ? ? -44.096 -32.214 -13.067 H15 15P 114 15P H25 H25 H 0 1 N N N ? ? ? -42.522 -31.848 -12.299 H25 15P 115 15P H16 H16 H 0 1 N N N ? ? ? -43.469 -29.788 -13.397 H16 15P 116 15P H26 H26 H 0 1 N N N ? ? ? -43.490 -30.663 -14.957 H26 15P 117 15P H17 H17 H 0 1 N N N ? ? ? -42.021 -29.093 -15.849 H17 15P 118 15P H27 H27 H 0 1 N N N ? ? ? -42.016 -28.225 -14.285 H27 15P 119 15P H18 H18 H 0 1 N N N ? ? ? -39.920 -27.714 -15.584 H18 15P 120 15P H28 H28 H 0 1 N N N ? ? ? -39.541 -29.463 -15.607 H28 15P 121 15P H19 H19 H 0 1 N N N ? ? ? -37.572 -29.045 -14.437 H19 15P 122 15P H29 H29 H 0 1 N N N ? ? ? -37.961 -27.298 -14.430 H29 15P 123 15P H101 1H10 H 0 0 N N N ? ? ? -36.410 -27.866 -12.528 H101 15P 124 15P H102 2H10 H 0 0 N N N ? ? ? -37.627 -29.028 -11.919 H102 15P 125 15P H111 1H11 H 0 0 N N N ? ? ? -37.787 -27.812 -9.941 H111 15P 126 15P H112 2H11 H 0 0 N N N ? ? ? -36.564 -26.663 -10.561 H112 15P 127 15P H121 1H12 H 0 0 N N N ? ? ? -37.997 -25.565 -8.805 H121 15P 128 15P H122 2H12 H 0 0 N N N ? ? ? -39.440 -25.917 -9.802 H122 15P 129 15P H131 1H13 H 0 0 N N N ? ? ? -39.870 -23.636 -9.972 H131 15P 130 15P H132 2H13 H 0 0 N N N ? ? ? -38.428 -23.300 -8.967 H132 15P 131 15P H141 1H14 H 0 0 N N N ? ? ? -38.993 -21.304 -10.396 H141 15P 132 15P H142 2H14 H 0 0 N N N ? ? ? -38.816 -22.330 -11.851 H142 15P 133 15P H151 1H15 H 0 0 N N N ? ? ? -37.088 -20.962 -12.598 H151 15P 134 15P H152 2H15 H 0 0 N N N ? ? ? -37.282 -19.941 -11.141 H152 15P 135 15P H161 1H16 H 0 0 N N N ? ? ? -34.956 -19.708 -12.080 H161 15P 136 15P H162 2H16 H 0 0 N N N ? ? ? -34.728 -21.471 -11.879 H162 15P 137 15P H171 1H17 H 0 0 N N N ? ? ? -32.964 -21.069 -10.415 H171 15P 138 15P H172 2H17 H 0 0 N N N ? ? ? -33.199 -19.309 -10.632 H172 15P 139 15P H181 1H18 H 0 0 N N N ? ? ? -32.055 -19.783 -8.439 H181 15P 140 15P H182 2H18 H 0 0 N N N ? ? ? -33.452 -20.793 -7.960 H182 15P 141 15P H191 1H19 H 0 0 N N N ? ? ? -33.850 -19.373 -6.158 H191 15P 142 15P H192 2H19 H 0 0 N N N ? ? ? -32.445 -18.378 -6.646 H192 15P 143 15P H201 1H20 H 0 0 N N N ? ? ? -34.063 -17.013 -5.282 H201 15P 144 15P H202 2H20 H 0 0 N N N ? ? ? -35.336 -17.367 -6.488 H202 15P 145 15P H211 1H21 H 0 0 N N N ? ? ? -35.536 -15.091 -6.934 H211 15P 146 15P H212 2H21 H 0 0 N N N ? ? ? -34.267 -14.753 -5.719 H212 15P 147 15P H221 1H22 H 0 0 N N N ? ? ? -34.405 -12.879 -7.397 H221 15P 148 15P H222 2H22 H 0 0 N N N ? ? ? -34.066 -14.058 -8.700 H222 15P 149 15P H231 1H23 H 0 0 N N N ? ? ? -32.125 -12.892 -9.240 H231 15P 150 15P H232 2H23 H 0 0 N N N ? ? ? -32.482 -11.718 -7.938 H232 15P 151 15P H241 1H24 H 0 0 N N N ? ? ? -30.017 -11.739 -8.458 H241 15P 152 15P H242 2H24 H 0 0 N N N ? ? ? -29.978 -13.484 -8.064 H242 15P 153 15P H251 1H25 H 0 0 N N N ? ? ? -28.466 -13.054 -6.347 H251 15P 154 15P H252 2H25 H 0 0 N N N ? ? ? -28.511 -11.313 -6.758 H252 15P 155 15P H261 1H26 H 0 0 N N N ? ? ? -27.808 -11.637 -4.361 H261 15P 156 15P H262 2H26 H 0 0 N N N ? ? ? -29.348 -12.496 -4.055 H262 15P 157 15P H271 1H27 H 0 0 N N N ? ? ? -29.931 -10.877 -2.487 H271 15P 158 15P H272 2H27 H 0 0 N N N ? ? ? -28.384 -10.034 -2.799 H272 15P 159 15P H281 1H28 H 0 0 N N N ? ? ? -30.093 -8.430 -1.876 H281 15P 160 15P H282 2H28 H 0 0 N N N ? ? ? -31.163 -8.819 -3.256 H282 15P 161 15P H291 1H29 H 0 0 N N N ? ? ? -31.089 -6.592 -3.930 H291 15P 162 15P H292 2H29 H 0 0 N N N ? ? ? -30.026 -6.218 -2.541 H292 15P 163 15P H301 1H30 H 0 0 N N N ? ? ? -29.713 -4.520 -4.375 H301 15P 164 15P H302 2H30 H 0 0 N N N ? ? ? -29.254 -5.846 -5.485 H302 15P 165 15P H311 1H31 H 0 0 N N N ? ? ? -27.157 -4.875 -5.767 H311 15P 166 15P H312 2H31 H 0 0 N N N ? ? ? -27.634 -3.552 -4.660 H312 15P 167 15P H321 1H32 H 0 0 N N N ? ? ? -25.127 -3.792 -4.722 H321 15P 168 15P H322 2H32 H 0 0 N N N ? ? ? -25.304 -5.487 -4.175 H322 15P 169 15P H331 1H33 H 0 0 N N N ? ? ? -24.082 -4.987 -2.257 H331 15P 170 15P H332 2H33 H 0 0 N N N ? ? ? -23.908 -3.298 -2.822 H332 15P 171 15P H341 1H34 H 0 0 N N N ? ? ? -23.662 -3.423 -0.318 H341 15P 172 15P H342 2H34 H 0 0 N N N ? ? ? -25.298 -4.140 -0.221 H342 15P 173 15P H351 1H35 H 0 0 N N N ? ? ? -25.991 -2.344 1.072 H351 15P 174 15P H352 2H35 H 0 0 N N N ? ? ? -24.360 -1.618 0.960 H352 15P 175 15P H361 1H36 H 0 0 N N N ? ? ? -26.086 0.157 1.421 H361 15P 176 15P H362 2H36 H 0 0 N N N ? ? ? -26.931 -0.313 -0.084 H362 15P 177 15P H371 1H37 H 0 0 N N N ? ? ? -26.606 1.807 -0.946 H371 15P 178 15P H372 2H37 H 0 0 N N N ? ? ? -25.765 2.295 0.556 H372 15P 179 15P H381 1H38 H 0 0 N N N ? ? ? -25.052 3.754 -1.369 H381 15P 180 15P H382 2H38 H 0 0 N N N ? ? ? -24.498 2.291 -2.237 H382 15P 181 15P H391 1H39 H 0 0 N N N ? ? ? -22.337 3.111 -2.270 H391 15P 182 15P H392 2H39 H 0 0 N N N ? ? ? -22.877 4.583 -1.409 H392 15P 183 15P H401 1H40 H 0 0 N N N ? ? ? -20.417 4.194 -1.037 H401 15P 184 15P H402 2H40 H 0 0 N N N ? ? ? -20.803 2.592 -0.341 H402 15P 185 15P H411 1H41 H 0 0 N N N ? ? ? -19.869 3.226 1.676 H411 15P 186 15P H412 2H41 H 0 0 N N N ? ? ? -19.469 4.831 0.992 H412 15P 187 15P H421 1H42 H 0 0 N N N ? ? ? -19.637 4.957 3.502 H421 15P 188 15P H422 2H42 H 0 0 N N N ? ? ? -21.321 4.363 3.391 H422 15P 189 15P H431 1H43 H 0 0 N N N ? ? ? -22.090 6.317 4.358 H431 15P 190 15P H432 2H43 H 0 0 N N N ? ? ? -20.410 6.922 4.482 H432 15P 191 15P H441 1H44 H 0 0 N N N ? ? ? -22.041 8.841 4.464 H441 15P 192 15P H442 2H44 H 0 0 N N N ? ? ? -22.644 8.277 2.876 H442 15P 193 15P H451 1H45 H 0 0 N N N ? ? ? -22.002 10.274 1.906 H451 15P 194 15P H452 2H45 H 0 0 N N N ? ? ? -21.401 10.855 3.488 H452 15P 195 15P H461 1H46 H 0 0 N N N ? ? ? -20.245 12.065 1.606 H461 15P 196 15P H462 2H46 H 0 0 N N N ? ? ? -19.668 10.489 0.985 H462 15P 197 15P H471 1H47 H 0 0 N N N ? ? ? -17.476 11.162 1.274 H471 15P 198 15P H472 2H47 H 0 0 N N N ? ? ? -18.037 12.745 1.890 H472 15P 199 15P H481 1H48 H 0 0 N N N ? ? ? -15.720 12.239 2.738 H481 15P 200 15P H482 2H48 H 0 0 N N N ? ? ? -16.352 10.743 3.489 H482 15P 201 15P H491 1H49 H 0 0 N N N ? ? ? -15.738 11.515 5.579 H491 15P 202 15P H492 2H49 H 0 0 N N N ? ? ? -15.095 13.014 4.842 H492 15P 203 15P H501 1H50 H 0 0 N N N ? ? ? -15.691 13.403 7.258 H501 15P 204 15P H502 2H50 H 0 0 N N N ? ? ? -17.372 12.910 6.894 H502 15P 205 15P H511 1H51 H 0 0 N N N ? ? ? -18.137 14.996 7.530 H511 15P 206 15P H512 2H51 H 0 0 N N N ? ? ? -16.462 15.502 7.905 H512 15P 207 15P H521 1H52 H 0 0 N N N ? ? ? -16.631 17.334 6.206 H521 15P 208 15P H522 2H52 H 0 0 N N N ? ? ? -17.936 17.490 7.421 H522 15P 209 15P H531 1H53 H 0 0 N N N ? ? ? -19.223 18.671 5.908 H531 15P 210 15P H532 2H53 H 0 0 N N N ? ? ? -17.925 18.530 4.685 H532 15P 211 15P H541 1H54 H 0 0 N N N ? ? ? -20.154 18.891 3.569 H541 15P 212 15P H542 2H54 H 0 0 N N N ? ? ? -20.761 17.408 4.364 H542 15P 213 15P H551 1H55 H 0 0 N N N ? ? ? -21.142 16.440 2.300 H551 15P 214 15P H552 2H55 H 0 0 N N N ? ? ? -20.544 17.919 1.490 H552 15P 215 15P H561 1H56 H 0 0 N N N ? ? ? -20.317 15.925 -0.032 H561 15P 216 15P H562 2H56 H 0 0 N N N ? ? ? -19.288 15.136 1.201 H562 15P 217 15P H571 1H57 H 0 0 N N N ? ? ? -17.524 15.071 -0.291 H571 15P 218 15P H572 2H57 H 0 0 N N N ? ? ? -18.542 15.853 -1.538 H572 15P 219 15P H581 1H58 H 0 0 N N N ? ? ? -16.937 17.772 -1.649 H581 15P 220 15P H582 2H58 H 0 0 N N N ? ? ? -16.089 16.233 -1.984 H582 15P 221 15P H591 1H59 H 0 0 N N N ? ? ? -14.086 17.175 -1.323 H591 15P 222 15P H592 2H59 H 0 0 N N N ? ? ? -14.918 18.724 -0.990 H592 15P 223 15P H601 1H60 H 0 0 N N N ? ? ? -12.795 18.556 0.354 H601 15P 224 15P H602 2H60 H 0 0 N N N ? ? ? -13.421 17.057 1.104 H602 15P 225 15P H611 1H61 H 0 0 N N N ? ? ? -13.343 18.049 3.189 H611 15P 226 15P H612 2H61 H 0 0 N N N ? ? ? -12.709 19.553 2.456 H612 15P 227 15P H621 1H62 H 0 0 N N N ? ? ? -13.839 20.050 4.652 H621 15P 228 15P H622 2H62 H 0 0 N N N ? ? ? -15.347 19.338 4.004 H622 15P 229 15P H631 1H63 H 0 0 N N N ? ? ? -16.431 21.363 4.266 H631 15P 230 15P H632 2H63 H 0 0 N N N ? ? ? -14.932 22.087 4.922 H632 15P 231 15P H641 1H64 H 0 0 N N N ? ? ? -14.917 23.755 3.054 H641 15P 232 15P H642 2H64 H 0 0 N N N ? ? ? -16.458 23.848 3.958 H642 15P 233 15P H651 1H65 H 0 0 N N N ? ? ? -17.505 24.755 2.108 H651 15P 234 15P H652 2H65 H 0 0 N N N ? ? ? -15.970 24.675 1.193 H652 15P 235 15P H661 1H66 H 0 0 N N N ? ? ? -17.936 24.690 -0.381 H661 15P 236 15P H662 2H66 H 0 0 N N N ? ? ? -18.549 23.209 0.415 H662 15P 237 15P H671 1H67 H 0 0 N N N ? ? ? -18.387 22.053 -1.579 H671 15P 238 15P H672 2H67 H 0 0 N N N ? ? ? -17.780 23.527 -2.392 H672 15P 239 15P H681 1H68 H 0 0 N N N ? ? ? -17.040 21.465 -3.635 H681 15P 240 15P H682 2H68 H 0 0 N N N ? ? ? -16.223 20.895 -2.148 H682 15P 241 15P HCM1 1HCM H 0 0 N N N ? ? ? -13.492 22.250 -3.730 HCM1 15P 242 15P HCM2 2HCM H 0 0 N N N ? ? ? -14.806 21.802 -4.861 HCM2 15P 243 15P HCM3 3HCM H 0 0 N N N ? ? ? -14.456 20.777 -3.444 HCM3 15P 244 # # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal 15P OXT C1 SING N N 1 15P OXT HXT SING N N 2 15P C1 C2 SING N N 3 15P C1 H11 SING N N 4 15P C1 H21 SING N N 5 15P C2 O1 SING N N 6 15P C2 H12 SING N N 7 15P C2 H22 SING N N 8 15P O1 C3 SING N N 9 15P C3 C4 SING N N 10 15P C3 H13 SING N N 11 15P C3 H23 SING N N 12 15P C4 O2 SING N N 13 15P C4 H14 SING N N 14 15P C4 H24 SING N N 15 15P O2 C5 SING N N 16 15P C5 C6 SING N N 17 15P C5 H15 SING N N 18 15P C5 H25 SING N N 19 15P C6 O3 SING N N 20 15P C6 H16 SING N N 21 15P C6 H26 SING N N 22 15P O3 C7 SING N N 23 15P C7 C8 SING N N 24 15P C7 H17 SING N N 25 15P C7 H27 SING N N 26 15P C8 O4 SING N N 27 15P C8 H18 SING N N 28 15P C8 H28 SING N N 29 15P O4 C9 SING N N 30 15P C9 C10 SING N N 31 15P C9 H19 SING N N 32 15P C9 H29 SING N N 33 15P C10 O5 SING N N 34 15P C10 H101 SING N N 35 15P C10 H102 SING N N 36 15P O5 C11 SING N N 37 15P C11 C12 SING N N 38 15P C11 H111 SING N N 39 15P C11 H112 SING N N 40 15P C12 O6 SING N N 41 15P C12 H121 SING N N 42 15P C12 H122 SING N N 43 15P O6 C13 SING N N 44 15P C13 C14 SING N N 45 15P C13 H131 SING N N 46 15P C13 H132 SING N N 47 15P C14 O7 SING N N 48 15P C14 H141 SING N N 49 15P C14 H142 SING N N 50 15P O7 C15 SING N N 51 15P C15 C16 SING N N 52 15P C15 H151 SING N N 53 15P C15 H152 SING N N 54 15P C16 O8 SING N N 55 15P C16 H161 SING N N 56 15P C16 H162 SING N N 57 15P O8 C17 SING N N 58 15P C17 C18 SING N N 59 15P C17 H171 SING N N 60 15P C17 H172 SING N N 61 15P C18 O9 SING N N 62 15P C18 H181 SING N N 63 15P C18 H182 SING N N 64 15P O9 C19 SING N N 65 15P C19 C20 SING N N 66 15P C19 H191 SING N N 67 15P C19 H192 SING N N 68 15P C20 O10 SING N N 69 15P C20 H201 SING N N 70 15P C20 H202 SING N N 71 15P O10 C21 SING N N 72 15P C21 C22 SING N N 73 15P C21 H211 SING N N 74 15P C21 H212 SING N N 75 15P C22 O11 SING N N 76 15P C22 H221 SING N N 77 15P C22 H222 SING N N 78 15P O11 C23 SING N N 79 15P C23 C24 SING N N 80 15P C23 H231 SING N N 81 15P C23 H232 SING N N 82 15P C24 O12 SING N N 83 15P C24 H241 SING N N 84 15P C24 H242 SING N N 85 15P O12 C25 SING N N 86 15P C25 C26 SING N N 87 15P C25 H251 SING N N 88 15P C25 H252 SING N N 89 15P C26 O13 SING N N 90 15P C26 H261 SING N N 91 15P C26 H262 SING N N 92 15P O13 C27 SING N N 93 15P C27 C28 SING N N 94 15P C27 H271 SING N N 95 15P C27 H272 SING N N 96 15P C28 O14 SING N N 97 15P C28 H281 SING N N 98 15P C28 H282 SING N N 99 15P O14 C29 SING N N 100 15P C29 C30 SING N N 101 15P C29 H291 SING N N 102 15P C29 H292 SING N N 103 15P C30 O15 SING N N 104 15P C30 H301 SING N N 105 15P C30 H302 SING N N 106 15P O15 C31 SING N N 107 15P C31 C32 SING N N 108 15P C31 H311 SING N N 109 15P C31 H312 SING N N 110 15P C32 O16 SING N N 111 15P C32 H321 SING N N 112 15P C32 H322 SING N N 113 15P O16 C33 SING N N 114 15P C33 C34 SING N N 115 15P C33 H331 SING N N 116 15P C33 H332 SING N N 117 15P C34 O17 SING N N 118 15P C34 H341 SING N N 119 15P C34 H342 SING N N 120 15P O17 C35 SING N N 121 15P C35 C36 SING N N 122 15P C35 H351 SING N N 123 15P C35 H352 SING N N 124 15P C36 O18 SING N N 125 15P C36 H361 SING N N 126 15P C36 H362 SING N N 127 15P O18 C37 SING N N 128 15P C37 C38 SING N N 129 15P C37 H371 SING N N 130 15P C37 H372 SING N N 131 15P C38 O19 SING N N 132 15P C38 H381 SING N N 133 15P C38 H382 SING N N 134 15P O19 C39 SING N N 135 15P C39 C40 SING N N 136 15P C39 H391 SING N N 137 15P C39 H392 SING N N 138 15P C40 O20 SING N N 139 15P C40 H401 SING N N 140 15P C40 H402 SING N N 141 15P O20 C41 SING N N 142 15P C41 C42 SING N N 143 15P C41 H411 SING N N 144 15P C41 H412 SING N N 145 15P C42 O21 SING N N 146 15P C42 H421 SING N N 147 15P C42 H422 SING N N 148 15P O21 C43 SING N N 149 15P C43 C44 SING N N 150 15P C43 H431 SING N N 151 15P C43 H432 SING N N 152 15P C44 O22 SING N N 153 15P C44 H441 SING N N 154 15P C44 H442 SING N N 155 15P O22 C45 SING N N 156 15P C45 C46 SING N N 157 15P C45 H451 SING N N 158 15P C45 H452 SING N N 159 15P C46 O23 SING N N 160 15P C46 H461 SING N N 161 15P C46 H462 SING N N 162 15P O23 C47 SING N N 163 15P C47 C48 SING N N 164 15P C47 H471 SING N N 165 15P C47 H472 SING N N 166 15P C48 O24 SING N N 167 15P C48 H481 SING N N 168 15P C48 H482 SING N N 169 15P O24 C49 SING N N 170 15P C49 C50 SING N N 171 15P C49 H491 SING N N 172 15P C49 H492 SING N N 173 15P C50 O25 SING N N 174 15P C50 H501 SING N N 175 15P C50 H502 SING N N 176 15P O25 C51 SING N N 177 15P C51 C52 SING N N 178 15P C51 H511 SING N N 179 15P C51 H512 SING N N 180 15P C52 O26 SING N N 181 15P C52 H521 SING N N 182 15P C52 H522 SING N N 183 15P O26 C53 SING N N 184 15P C53 C54 SING N N 185 15P C53 H531 SING N N 186 15P C53 H532 SING N N 187 15P C54 O27 SING N N 188 15P C54 H541 SING N N 189 15P C54 H542 SING N N 190 15P O27 C55 SING N N 191 15P C55 C56 SING N N 192 15P C55 H551 SING N N 193 15P C55 H552 SING N N 194 15P C56 O28 SING N N 195 15P C56 H561 SING N N 196 15P C56 H562 SING N N 197 15P O28 C57 SING N N 198 15P C57 C58 SING N N 199 15P C57 H571 SING N N 200 15P C57 H572 SING N N 201 15P C58 O29 SING N N 202 15P C58 H581 SING N N 203 15P C58 H582 SING N N 204 15P O29 C59 SING N N 205 15P C59 C60 SING N N 206 15P C59 H591 SING N N 207 15P C59 H592 SING N N 208 15P C60 O30 SING N N 209 15P C60 H601 SING N N 210 15P C60 H602 SING N N 211 15P O30 C61 SING N N 212 15P C61 C62 SING N N 213 15P C61 H611 SING N N 214 15P C61 H612 SING N N 215 15P C62 O31 SING N N 216 15P C62 H621 SING N N 217 15P C62 H622 SING N N 218 15P O31 C63 SING N N 219 15P C63 C64 SING N N 220 15P C63 H631 SING N N 221 15P C63 H632 SING N N 222 15P C64 O32 SING N N 223 15P C64 H641 SING N N 224 15P C64 H642 SING N N 225 15P O32 C65 SING N N 226 15P C65 C66 SING N N 227 15P C65 H651 SING N N 228 15P C65 H652 SING N N 229 15P C66 O33 SING N N 230 15P C66 H661 SING N N 231 15P C66 H662 SING N N 232 15P O33 C67 SING N N 233 15P C67 C68 SING N N 234 15P C67 H671 SING N N 235 15P C67 H672 SING N N 236 15P C68 O34 SING N N 237 15P C68 H681 SING N N 238 15P C68 H682 SING N N 239 15P O34 CM SING N N 240 15P CM HCM1 SING N N 241 15P CM HCM2 SING N N 242 15P CM HCM3 SING N N 243 # # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor 15P SMILES ACDLabs 10.04 "O(CCOCCO)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC" 15P SMILES_CANONICAL CACTVS 3.341 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 15P SMILES CACTVS 3.341 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 15P SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 15P SMILES "OpenEye OEToolkits" 1.5.0 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 15P InChI InChI 1.03 "InChI=1S/C69H140O35/c1-71-4-5-73-8-9-75-12-13-77-16-17-79-20-21-81-24-25-83-28-29-85-32-33-87-36-37-89-40-41-91-44-45-93-48-49-95-52-53-97-56-57-99-60-61-101-64-65-103-68-69-104-67-66-102-63-62-100-59-58-98-55-54-96-51-50-94-47-46-92-43-42-90-39-38-88-35-34-86-31-30-84-27-26-82-23-22-80-19-18-78-15-14-76-11-10-74-7-6-72-3-2-70/h70H,2-69H2,1H3" 15P InChIKey InChI 1.03 VUYXVWGKCKTUMF-UHFFFAOYSA-N # # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier 15P "SYSTEMATIC NAME" ACDLabs 10.04 "2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101-tetratriacontaoxatrihectan-103-ol" 15P "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 15P "Create component" 1999-11-17 RCSB 15P "Modify descriptor" 2011-06-04 RCSB 15P "Modify synonyms" 2020-06-05 PDBE 15P "Other modification" 2021-07-08 RCSB # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id 15P _pdbx_chem_comp_synonyms.name "PEG 1500" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##