data_MJC # _chem_comp.id MJC _chem_comp.name "dolichyl phosphate mannose" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C61 H103 O9 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2016-12-08 _chem_comp.pdbx_modified_date 2017-08-04 _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 1011.439 _chem_comp.one_letter_code ? _chem_comp.three_letter_code MJC _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 5MM1 _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 MJC C3 C1 C 0 1 N N R -10.011 -13.430 -4.101 -11.030 -2.942 -0.853 C3 MJC 1 MJC C2 C2 C 0 1 N N N -9.552 -14.845 -4.405 -11.592 -1.641 -0.275 C2 MJC 2 MJC C5 C3 C 0 1 N N N -11.413 -13.222 -4.669 -9.502 -2.883 -0.848 C5 MJC 3 MJC C6 C4 C 0 1 N N N -11.564 -11.945 -5.577 -8.941 -4.128 -1.539 C6 MJC 4 MJC C9 C5 C 0 1 N N N -14.245 -10.173 -5.847 -7.444 -6.313 -0.568 C9 MJC 5 MJC C8 C6 C 0 1 N N N -13.505 -10.568 -4.576 -6.743 -5.059 -1.024 C8 MJC 6 MJC C7 C7 C 0 1 N N N -12.009 -10.673 -4.770 -7.435 -4.070 -1.534 C7 MJC 7 MJC C31 C8 C 0 1 N N N -22.631 -5.800 -2.096 11.913 -2.635 -1.003 C31 MJC 8 MJC C12 C9 C 0 1 N N N -15.121 -8.078 -1.915 -3.398 -4.335 0.645 C12 MJC 9 MJC C14 C10 C 0 1 N N N -15.964 -5.638 -2.214 -3.719 -1.960 1.111 C14 MJC 10 MJC C16 C11 C 0 1 N N N -18.969 -7.176 -1.690 -0.861 -2.585 -0.493 C16 MJC 11 MJC C17 C12 C 0 1 N N N -19.077 -5.705 -1.174 0.640 -2.448 -0.476 C17 MJC 12 MJC C18 C13 C 0 1 N N N -20.220 -5.528 -0.101 1.377 -3.222 -1.235 C18 MJC 13 MJC C19 C14 C 0 1 N N N -20.132 -6.612 1.006 0.726 -4.273 -2.096 C19 MJC 14 MJC C20 C15 C 0 1 N N N -20.281 -4.144 0.533 2.875 -3.059 -1.246 C20 MJC 15 MJC C22 C16 C 0 1 N N N -22.351 -3.273 1.784 5.000 -3.884 -0.270 C22 MJC 16 MJC C23 C17 C 0 1 N N N -23.447 -3.600 2.821 5.625 -3.493 0.813 C23 MJC 17 MJC C28 C18 C 0 1 N N N -23.829 -3.708 -0.987 9.738 -1.536 -0.545 C28 MJC 18 MJC C29 C19 C 0 1 N N N -23.272 -2.484 -1.759 8.992 -1.247 -1.822 C29 MJC 19 MJC C30 C20 C 0 1 N N N -23.975 -4.993 -1.917 11.234 -1.363 -0.492 C30 MJC 20 MJC C11 C21 C 0 1 N N N -14.860 -8.620 -3.362 -4.895 -4.452 0.513 C11 MJC 21 MJC "C1'" C22 C 0 1 N N S -8.056 -19.314 -0.770 -16.716 2.028 0.790 "C1'" MJC 22 MJC "C2'" C23 C 0 1 N N S -8.538 -20.676 -0.231 -16.747 3.022 1.954 "C2'" MJC 23 MJC "C3'" C24 C 0 1 N N S -7.418 -21.253 0.612 -18.102 3.736 1.970 "C3'" MJC 24 MJC "C4'" C25 C 0 1 N N S -6.166 -21.370 -0.272 -18.322 4.419 0.617 "C4'" MJC 25 MJC "C5'" C26 C 0 1 N N R -5.836 -19.992 -0.912 -18.231 3.372 -0.495 "C5'" MJC 26 MJC "C6'" C27 C 0 1 N N N -4.599 -20.060 -1.798 -18.391 4.056 -1.855 "C6'" MJC 27 MJC "O1'" O1 O 0 1 N N N -9.086 -18.529 -1.350 -15.435 1.398 0.735 "O1'" MJC 28 MJC "O2'" O2 O 0 1 N N N -8.761 -21.584 -1.293 -15.702 3.983 1.790 "O2'" MJC 29 MJC "O3'" O3 O 0 1 N N N -7.809 -22.502 1.149 -18.112 4.718 3.009 "O3'" MJC 30 MJC "O4'" O4 O 0 1 N N N -5.106 -21.750 0.530 -19.615 5.028 0.595 "O4'" MJC 31 MJC "O5'" O5 O 0 1 N N N -6.958 -19.483 -1.659 -16.959 2.724 -0.434 "O5'" MJC 32 MJC "O6'" O6 O 0 1 N N N -3.507 -19.566 -1.032 -18.422 3.066 -2.885 "O6'" MJC 33 MJC P P1 P 0 1 N N N -9.037 -16.952 -1.106 -15.217 -0.099 0.184 P MJC 34 MJC OP O7 O 0 1 N N N -9.706 -16.225 -2.371 -13.643 -0.433 0.145 OP MJC 35 MJC OP2 O8 O 0 1 N N N -7.582 -16.546 -0.929 -15.779 -0.210 -1.180 OP2 MJC 36 MJC OP3 O9 O 0 1 N N N -9.776 -16.626 0.157 -15.963 -1.143 1.158 OP3 MJC 37 MJC C1 C28 C 0 1 N N N -8.821 -15.531 -3.242 -13.118 -1.648 -0.394 C1 MJC 38 MJC C4 C29 C 0 1 N N N -10.061 -13.203 -2.612 -11.498 -4.123 -0.000 C4 MJC 39 MJC C10 C30 C 0 1 N N N -13.823 -9.785 -3.319 -5.247 -4.942 -0.893 C10 MJC 40 MJC C13 C31 C 0 1 N N N -16.344 -7.062 -1.767 -2.849 -3.167 0.869 C13 MJC 41 MJC C15 C32 C 0 1 N N N -17.669 -7.549 -2.438 -1.349 -3.030 0.887 C15 MJC 42 MJC C21 C33 C 0 1 N N N -21.109 -4.191 1.829 3.502 -4.046 -0.259 C21 MJC 43 MJC C24 C34 C 0 1 N N N -23.026 -3.301 4.288 4.838 -3.111 2.040 C24 MJC 44 MJC C25 C35 C 0 1 N N N -24.841 -2.996 2.455 7.130 -3.426 0.833 C25 MJC 45 MJC C26 C36 C 0 1 N N N -24.922 -2.350 0.999 7.582 -2.003 0.499 C26 MJC 46 MJC C27 C37 C 0 1 N N N -25.143 -3.374 -0.202 9.087 -1.936 0.518 C27 MJC 47 MJC C32 C38 C 0 1 N N N -22.830 -7.296 -2.428 13.410 -2.462 -0.950 C32 MJC 48 MJC C33 C39 C 0 1 N N N -23.929 -7.573 -3.513 14.136 -3.268 -0.216 C33 MJC 49 MJC C34 C40 C 0 1 N N N -23.650 -6.787 -4.775 13.468 -4.283 0.676 C34 MJC 50 MJC C35 C41 C 0 1 N N N -24.083 -9.081 -3.836 15.640 -3.180 -0.263 C35 MJC 51 MJC C36 C42 C 0 1 N N N -24.555 -9.332 -5.298 16.135 -2.287 0.877 C36 MJC 52 MJC C37 C43 C 0 1 N N N -23.430 -9.840 -6.228 17.638 -2.200 0.829 C37 MJC 53 MJC C38 C44 C 0 1 N N N -23.860 -11.075 -7.054 18.222 -1.040 0.651 C38 MJC 54 MJC C39 C45 C 0 1 N N N -22.906 -11.377 -8.181 19.720 -0.926 0.762 C39 MJC 55 MJC C40 C46 C 0 1 N N N -25.324 -11.005 -7.572 17.394 0.179 0.336 C40 MJC 56 MJC C41 C47 C 0 1 N N N -25.597 -12.135 -8.594 17.052 0.913 1.634 C41 MJC 57 MJC C42 C48 C 0 1 N N N -26.925 -11.970 -9.455 16.225 2.133 1.319 C42 MJC 58 MJC C43 C49 C 0 1 N N N -26.698 -11.012 -10.676 15.079 2.322 1.925 C43 MJC 59 MJC C44 C50 C 0 1 N N N -25.208 -10.690 -10.820 14.640 1.380 3.017 C44 MJC 60 MJC C45 C51 C 0 1 N N N -27.610 -9.759 -10.643 14.200 3.481 1.532 C45 MJC 61 MJC C46 C52 C 0 1 N N N -26.822 -8.433 -10.455 13.164 3.011 0.508 C46 MJC 62 MJC C47 C53 C 0 1 N N N -26.204 -8.254 -9.060 12.285 4.170 0.115 C47 MJC 63 MJC C48 C54 C 0 1 N N N -25.218 -7.116 -9.000 12.237 4.561 -1.135 C48 MJC 64 MJC C49 C55 C 0 1 N N N -25.561 -6.021 -9.987 13.121 3.905 -2.164 C49 MJC 65 MJC C50 C56 C 0 1 N N N -25.127 -6.563 -7.564 11.298 5.667 -1.542 C50 MJC 66 MJC C51 C57 C 0 1 N N N -26.355 -5.739 -7.104 12.048 7.001 -1.536 C51 MJC 67 MJC C52 C58 C 0 1 N N N -25.938 -4.522 -6.254 11.109 8.107 -1.943 C52 MJC 68 MJC C53 C59 C 0 1 N N N -26.603 -4.538 -4.836 10.865 9.096 -1.120 C53 MJC 69 MJC C54 C60 C 0 1 N N N -26.018 -3.497 -3.836 10.032 10.267 -1.574 C54 MJC 70 MJC C55 C61 C 0 1 N N N -26.709 -5.994 -4.299 11.418 9.064 0.281 C55 MJC 71 MJC H1 H1 H 0 1 N N N -9.318 -12.711 -4.563 -11.386 -3.069 -1.875 H1 MJC 72 MJC H2 H2 H 0 1 N N N -10.436 -15.447 -4.661 -11.310 -1.558 0.774 H2 MJC 73 MJC H3 H3 H 0 1 N N N -8.871 -14.809 -5.268 -11.188 -0.794 -0.828 H3 MJC 74 MJC H4 H4 H 0 1 N N N -12.115 -13.131 -3.827 -9.170 -1.992 -1.381 H4 MJC 75 MJC H5 H5 H 0 1 N N N -11.675 -14.105 -5.271 -9.142 -2.845 0.180 H5 MJC 76 MJC H6 H6 H 0 1 N N N -12.318 -12.151 -6.351 -9.272 -5.019 -1.006 H6 MJC 77 MJC H7 H7 H 0 1 N N N -10.595 -11.737 -6.055 -9.300 -4.166 -2.567 H7 MJC 78 MJC H8 H8 H 0 1 N N N -15.324 -10.114 -5.640 -7.813 -6.174 0.448 H8 MJC 79 MJC H9 H9 H 0 1 N N N -13.884 -9.193 -6.192 -8.282 -6.523 -1.233 H9 MJC 80 MJC H10 H10 H 0 1 N N N -14.062 -10.927 -6.627 -6.745 -7.148 -0.590 H10 MJC 81 MJC H12 H12 H 0 1 N N N -11.312 -9.942 -4.389 -6.926 -3.214 -1.952 H12 MJC 82 MJC H14 H14 H 0 1 N N N -22.058 -5.728 -1.160 11.622 -3.479 -0.378 H14 MJC 83 MJC H15 H15 H 0 1 N N N -22.058 -5.338 -2.914 11.606 -2.823 -2.032 H15 MJC 84 MJC H16 H16 H 0 1 N N N -14.513 -8.373 -1.072 -2.778 -5.214 0.553 H16 MJC 85 MJC H18 H18 H 0 1 N N N -15.029 -5.335 -1.720 -4.301 -2.108 2.020 H18 MJC 86 MJC H19 H19 H 0 1 N N N -15.824 -5.621 -3.305 -3.091 -1.076 1.221 H19 MJC 87 MJC H20 H20 H 0 1 N N N -16.768 -4.940 -1.937 -4.393 -1.823 0.266 H20 MJC 88 MJC H21 H21 H 0 1 N N N -19.811 -7.353 -2.375 -1.311 -1.625 -0.745 H21 MJC 89 MJC H22 H22 H 0 1 N N N -19.057 -7.843 -0.820 -1.150 -3.328 -1.237 H22 MJC 90 MJC H23 H23 H 0 1 N N N -18.441 -4.901 -1.513 1.107 -1.713 0.162 H23 MJC 91 MJC H26 H26 H 0 1 N N N -20.941 -6.459 1.735 0.395 -3.822 -3.032 H26 MJC 92 MJC H27 H27 H 0 1 N N N -20.232 -7.609 0.552 1.445 -5.064 -2.309 H27 MJC 93 MJC H28 H28 H 0 1 N N N -19.160 -6.537 1.516 -0.132 -4.693 -1.571 H28 MJC 94 MJC H29 H29 H 0 1 N N N -19.261 -3.805 0.765 3.254 -3.257 -2.248 H29 MJC 95 MJC H30 H30 H 0 1 N N N -20.749 -3.441 -0.172 3.132 -2.041 -0.954 H30 MJC 96 MJC H31 H31 H 0 1 N N N -22.446 -2.461 1.078 5.559 -4.090 -1.171 H31 MJC 97 MJC H35 H35 H 0 1 N N N -23.190 -1.625 -1.076 8.221 -0.500 -1.632 H35 MJC 98 MJC H36 H36 H 0 1 N N N -22.278 -2.727 -2.163 9.687 -0.870 -2.572 H36 MJC 99 MJC H37 H37 H 0 1 N N N -23.952 -2.231 -2.585 8.527 -2.164 -2.186 H37 MJC 100 MJC H38 H38 H 0 1 N N N -24.319 -4.667 -2.909 11.542 -1.175 0.537 H38 MJC 101 MJC H39 H39 H 0 1 N N N -24.725 -5.662 -1.470 11.526 -0.519 -1.118 H39 MJC 102 MJC H40 H40 H 0 1 N N N -14.468 -7.807 -3.990 -5.270 -5.162 1.250 H40 MJC 103 MJC H41 H41 H 0 1 N N N -15.805 -8.989 -3.788 -5.351 -3.477 0.683 H41 MJC 104 MJC H42 H42 H 0 1 N N N -7.682 -18.762 0.105 -17.487 1.272 0.937 H42 MJC 105 MJC H43 H43 H 0 1 N N N -9.441 -20.537 0.381 -16.606 2.487 2.894 H43 MJC 106 MJC H44 H44 H 0 1 N N N -7.198 -20.549 1.428 -18.895 3.010 2.147 H44 MJC 107 MJC H45 H45 H 0 1 N N N -6.352 -22.103 -1.071 -17.558 5.181 0.465 H45 MJC 108 MJC H46 H46 H 0 1 N N N -5.617 -19.295 -0.089 -19.022 2.633 -0.365 H46 MJC 109 MJC H47 H47 H 0 1 N N N -4.743 -19.439 -2.694 -19.320 4.624 -1.868 H47 MJC 110 MJC H48 H48 H 0 1 N N N -4.408 -21.100 -2.100 -17.550 4.729 -2.023 H48 MJC 111 MJC H49 H49 H 0 1 N N N -9.057 -22.416 -0.942 -14.815 3.599 1.766 H49 MJC 112 MJC H50 H50 H 0 1 N N N -8.583 -22.387 1.687 -17.971 4.355 3.894 H50 MJC 113 MJC H51 H51 H 0 1 N N N -5.295 -22.592 0.928 -19.745 5.700 1.278 H51 MJC 114 MJC H52 H52 H 0 1 N N N -2.714 -19.594 -1.555 -18.521 3.429 -3.776 H52 MJC 115 MJC H53 H53 H 0 1 N N N -9.176 -16.240 0.785 -15.645 -1.126 2.071 H53 MJC 116 MJC H54 H54 H 0 1 N N N -8.098 -16.250 -3.656 -13.400 -1.731 -1.444 H54 MJC 117 MJC H55 H55 H 0 1 N N N -8.285 -14.765 -2.662 -13.522 -2.496 0.159 H55 MJC 118 MJC H56 H56 H 0 1 N N N -9.058 -13.349 -2.184 -11.142 -3.996 1.023 H56 MJC 119 MJC H57 H57 H 0 1 N N N -10.400 -12.177 -2.409 -12.587 -4.165 -0.003 H57 MJC 120 MJC H58 H58 H 0 1 N N N -10.761 -13.918 -2.156 -11.098 -5.049 -0.412 H58 MJC 121 MJC H59 H59 H 0 1 N N N -14.192 -10.510 -2.579 -4.790 -5.917 -1.063 H59 MJC 122 MJC H60 H60 H 0 1 N N N -12.875 -9.352 -2.967 -4.872 -4.232 -1.630 H60 MJC 123 MJC H62 H62 H 0 1 N N N -17.720 -7.110 -3.446 -0.899 -3.991 1.139 H62 MJC 124 MJC H63 H63 H 0 1 N N N -17.626 -8.645 -2.517 -1.060 -2.288 1.631 H63 MJC 125 MJC H64 H64 H 0 1 N N N -21.443 -5.226 1.994 3.122 -3.848 0.744 H64 MJC 126 MJC H65 H65 H 0 1 N N N -20.469 -3.874 2.666 3.245 -5.064 -0.550 H65 MJC 127 MJC H66 H66 H 0 1 N N N -23.853 -3.557 4.967 4.601 -4.006 2.615 H66 MJC 128 MJC H67 H67 H 0 1 N N N -22.141 -3.902 4.545 5.429 -2.431 2.654 H67 MJC 129 MJC H68 H68 H 0 1 N N N -22.786 -2.232 4.390 3.913 -2.617 1.740 H68 MJC 130 MJC H69 H69 H 0 1 N N N -25.080 -2.214 3.191 7.493 -3.700 1.823 H69 MJC 131 MJC H70 H70 H 0 1 N N N -25.590 -3.799 2.516 7.534 -4.118 0.094 H70 MJC 132 MJC H71 H71 H 0 1 N N N -23.980 -1.812 0.815 7.218 -1.730 -0.492 H71 MJC 133 MJC H72 H72 H 0 1 N N N -25.759 -1.636 0.992 7.177 -1.311 1.238 H72 MJC 134 MJC H73 H73 H 0 1 N N N -26.105 -3.797 -0.451 9.629 -2.218 1.409 H73 MJC 135 MJC H75 H75 H 0 1 N N N -22.262 -8.083 -1.954 13.883 -1.674 -1.517 H75 MJC 136 MJC H78 H78 H 0 1 N N N -23.544 -5.721 -4.527 13.228 -5.174 0.097 H78 MJC 137 MJC H79 H79 H 0 1 N N N -22.720 -7.151 -5.235 14.141 -4.549 1.491 H79 MJC 138 MJC H80 H80 H 0 1 N N N -24.484 -6.918 -5.480 12.552 -3.858 1.087 H80 MJC 139 MJC H81 H81 H 0 1 N N N -24.822 -9.516 -3.147 16.065 -4.178 -0.154 H81 MJC 140 MJC H82 H82 H 0 1 N N N -23.111 -9.574 -3.690 15.949 -2.756 -1.218 H82 MJC 141 MJC H83 H83 H 0 1 N N N -24.944 -8.387 -5.706 15.709 -1.290 0.767 H83 MJC 142 MJC H84 H84 H 0 1 N N N -25.359 -10.083 -5.281 15.825 -2.712 1.832 H84 MJC 143 MJC H85 H85 H 0 1 N N N -22.453 -9.384 -6.294 18.235 -3.093 0.942 H85 MJC 144 MJC H88 H88 H 0 1 N N N -21.879 -11.421 -7.790 20.171 -1.097 -0.216 H88 MJC 145 MJC H89 H89 H 0 1 N N N -23.168 -12.345 -8.634 19.983 0.072 1.113 H89 MJC 146 MJC H90 H90 H 0 1 N N N -22.975 -10.585 -8.942 20.090 -1.669 1.468 H90 MJC 147 MJC H91 H91 H 0 1 N N N -25.489 -10.032 -8.057 17.959 0.842 -0.319 H91 MJC 148 MJC H92 H92 H 0 1 N N N -26.013 -11.113 -6.722 16.473 -0.125 -0.162 H92 MJC 149 MJC H93 H93 H 0 1 N N N -25.667 -13.083 -8.041 16.487 0.250 2.289 H93 MJC 150 MJC H94 H94 H 0 1 N N N -24.745 -12.177 -9.289 17.973 1.218 2.132 H94 MJC 151 MJC H95 H95 H 0 1 N N N -27.863 -12.455 -9.228 16.576 2.851 0.592 H95 MJC 152 MJC H98 H98 H 0 1 N N N -24.630 -11.626 -10.836 14.131 0.523 2.575 H98 MJC 153 MJC H99 H99 H 0 1 N N N -25.041 -10.140 -11.758 15.513 1.037 3.573 H99 MJC 154 MJC H100 H100 H 0 0 N N N -24.883 -10.072 -9.970 13.960 1.898 3.692 H100 MJC 155 MJC H101 H101 H 0 0 N N N -28.164 -9.705 -11.592 13.690 3.866 2.415 H101 MJC 156 MJC H102 H102 H 0 0 N N N -28.320 -9.865 -9.809 14.813 4.269 1.094 H102 MJC 157 MJC H103 H103 H 0 0 N N N -26.010 -8.407 -11.197 13.675 2.626 -0.374 H103 MJC 158 MJC H104 H104 H 0 0 N N N -27.511 -7.595 -10.636 12.552 2.223 0.947 H104 MJC 159 MJC H105 H105 H 0 0 N N N -26.450 -8.877 -8.213 11.695 4.679 0.863 H105 MJC 160 MJC H108 H108 H 0 0 N N N -24.819 -5.212 -9.911 12.609 3.038 -2.582 H108 MJC 161 MJC H109 H109 H 0 0 N N N -25.552 -6.432 -11.007 13.341 4.616 -2.960 H109 MJC 162 MJC H110 H110 H 0 0 N N N -26.561 -5.623 -9.760 14.051 3.586 -1.694 H110 MJC 163 MJC H111 H111 H 0 0 N N N -25.010 -7.414 -6.877 10.917 5.469 -2.544 H111 MJC 164 MJC H112 H112 H 0 0 N N N -24.239 -5.917 -7.502 10.466 5.714 -0.840 H112 MJC 165 MJC H113 H113 H 0 0 N N N -26.899 -5.384 -7.992 12.429 7.199 -0.534 H113 MJC 166 MJC H114 H114 H 0 0 N N N -27.013 -6.385 -6.504 12.880 6.953 -2.238 H114 MJC 167 MJC H115 H115 H 0 0 N N N -25.266 -3.749 -6.596 10.637 8.083 -2.915 H115 MJC 168 MJC H118 H118 H 0 0 N N N -26.542 -3.579 -2.872 8.981 10.070 -1.360 H118 MJC 169 MJC H119 H119 H 0 0 N N N -24.946 -3.693 -3.689 10.349 11.165 -1.045 H119 MJC 170 MJC H120 H120 H 0 0 N N N -26.153 -2.483 -4.241 10.163 10.411 -2.647 H120 MJC 171 MJC H121 H121 H 0 0 N N N -27.178 -5.985 -3.304 12.441 9.439 0.277 H121 MJC 172 MJC H122 H122 H 0 0 N N N -27.322 -6.595 -4.987 10.804 9.689 0.929 H122 MJC 173 MJC H123 H123 H 0 0 N N N -25.703 -6.432 -4.226 11.409 8.038 0.652 H123 MJC 174 # 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 MJC C44 C43 SING N N 1 MJC C43 C45 SING N N 2 MJC C43 C42 DOUB N E 3 MJC C45 C46 SING N N 4 MJC C46 C47 SING N N 5 MJC C49 C48 SING N N 6 MJC C42 C41 SING N N 7 MJC C47 C48 DOUB N E 8 MJC C48 C50 SING N N 9 MJC C41 C40 SING N N 10 MJC C39 C38 SING N N 11 MJC C40 C38 SING N N 12 MJC C50 C51 SING N N 13 MJC C51 C52 SING N N 14 MJC C38 C37 DOUB N Z 15 MJC C52 C53 DOUB N N 16 MJC C37 C36 SING N N 17 MJC C9 C8 SING N N 18 MJC C6 C7 SING N N 19 MJC C6 C5 SING N N 20 MJC C36 C35 SING N N 21 MJC C53 C55 SING N N 22 MJC C53 C54 SING N N 23 MJC C34 C33 SING N N 24 MJC C7 C8 DOUB N E 25 MJC C5 C3 SING N N 26 MJC C8 C10 SING N N 27 MJC C2 C3 SING N N 28 MJC C2 C1 SING N N 29 MJC C3 C4 SING N N 30 MJC C35 C33 SING N N 31 MJC C33 C32 DOUB N E 32 MJC C11 C10 SING N N 33 MJC C11 C12 SING N N 34 MJC C1 OP SING N N 35 MJC C15 C13 SING N N 36 MJC C15 C16 SING N N 37 MJC C32 C31 SING N N 38 MJC OP P SING N N 39 MJC C14 C13 SING N N 40 MJC C31 C30 SING N N 41 MJC C30 C28 SING N N 42 MJC C12 C13 DOUB N Z 43 MJC "C6'" "O6'" SING N N 44 MJC "C6'" "C5'" SING N N 45 MJC C29 C28 SING N N 46 MJC C16 C17 SING N N 47 MJC "O5'" "C5'" SING N N 48 MJC "O5'" "C1'" SING N N 49 MJC "O1'" P SING N N 50 MJC "O1'" "C1'" SING N N 51 MJC "O2'" "C2'" SING N N 52 MJC C17 C18 DOUB N E 53 MJC P OP2 DOUB N N 54 MJC P OP3 SING N N 55 MJC C28 C27 DOUB N E 56 MJC "C5'" "C4'" SING N N 57 MJC "C1'" "C2'" SING N N 58 MJC "C4'" "O4'" SING N N 59 MJC "C4'" "C3'" SING N N 60 MJC "C2'" "C3'" SING N N 61 MJC C27 C26 SING N N 62 MJC C18 C20 SING N N 63 MJC C18 C19 SING N N 64 MJC C20 C21 SING N N 65 MJC "C3'" "O3'" SING N N 66 MJC C26 C25 SING N N 67 MJC C22 C21 SING N N 68 MJC C22 C23 DOUB N E 69 MJC C25 C23 SING N N 70 MJC C23 C24 SING N N 71 MJC C3 H1 SING N N 72 MJC C2 H2 SING N N 73 MJC C2 H3 SING N N 74 MJC C5 H4 SING N N 75 MJC C5 H5 SING N N 76 MJC C6 H6 SING N N 77 MJC C6 H7 SING N N 78 MJC C9 H8 SING N N 79 MJC C9 H9 SING N N 80 MJC C9 H10 SING N N 81 MJC C7 H12 SING N N 82 MJC C31 H14 SING N N 83 MJC C31 H15 SING N N 84 MJC C12 H16 SING N N 85 MJC C14 H18 SING N N 86 MJC C14 H19 SING N N 87 MJC C14 H20 SING N N 88 MJC C16 H21 SING N N 89 MJC C16 H22 SING N N 90 MJC C17 H23 SING N N 91 MJC C19 H26 SING N N 92 MJC C19 H27 SING N N 93 MJC C19 H28 SING N N 94 MJC C20 H29 SING N N 95 MJC C20 H30 SING N N 96 MJC C22 H31 SING N N 97 MJC C29 H35 SING N N 98 MJC C29 H36 SING N N 99 MJC C29 H37 SING N N 100 MJC C30 H38 SING N N 101 MJC C30 H39 SING N N 102 MJC C11 H40 SING N N 103 MJC C11 H41 SING N N 104 MJC "C1'" H42 SING N N 105 MJC "C2'" H43 SING N N 106 MJC "C3'" H44 SING N N 107 MJC "C4'" H45 SING N N 108 MJC "C5'" H46 SING N N 109 MJC "C6'" H47 SING N N 110 MJC "C6'" H48 SING N N 111 MJC "O2'" H49 SING N N 112 MJC "O3'" H50 SING N N 113 MJC "O4'" H51 SING N N 114 MJC "O6'" H52 SING N N 115 MJC OP3 H53 SING N N 116 MJC C1 H54 SING N N 117 MJC C1 H55 SING N N 118 MJC C4 H56 SING N N 119 MJC C4 H57 SING N N 120 MJC C4 H58 SING N N 121 MJC C10 H59 SING N N 122 MJC C10 H60 SING N N 123 MJC C15 H62 SING N N 124 MJC C15 H63 SING N N 125 MJC C21 H64 SING N N 126 MJC C21 H65 SING N N 127 MJC C24 H66 SING N N 128 MJC C24 H67 SING N N 129 MJC C24 H68 SING N N 130 MJC C25 H69 SING N N 131 MJC C25 H70 SING N N 132 MJC C26 H71 SING N N 133 MJC C26 H72 SING N N 134 MJC C27 H73 SING N N 135 MJC C32 H75 SING N N 136 MJC C34 H78 SING N N 137 MJC C34 H79 SING N N 138 MJC C34 H80 SING N N 139 MJC C35 H81 SING N N 140 MJC C35 H82 SING N N 141 MJC C36 H83 SING N N 142 MJC C36 H84 SING N N 143 MJC C37 H85 SING N N 144 MJC C39 H88 SING N N 145 MJC C39 H89 SING N N 146 MJC C39 H90 SING N N 147 MJC C40 H91 SING N N 148 MJC C40 H92 SING N N 149 MJC C41 H93 SING N N 150 MJC C41 H94 SING N N 151 MJC C42 H95 SING N N 152 MJC C44 H98 SING N N 153 MJC C44 H99 SING N N 154 MJC C44 H100 SING N N 155 MJC C45 H101 SING N N 156 MJC C45 H102 SING N N 157 MJC C46 H103 SING N N 158 MJC C46 H104 SING N N 159 MJC C47 H105 SING N N 160 MJC C49 H108 SING N N 161 MJC C49 H109 SING N N 162 MJC C49 H110 SING N N 163 MJC C50 H111 SING N N 164 MJC C50 H112 SING N N 165 MJC C51 H113 SING N N 166 MJC C51 H114 SING N N 167 MJC C52 H115 SING N N 168 MJC C54 H118 SING N N 169 MJC C54 H119 SING N N 170 MJC C54 H120 SING N N 171 MJC C55 H121 SING N N 172 MJC C55 H122 SING N N 173 MJC C55 H123 SING N N 174 # 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 MJC InChI InChI 1.03 ;InChI=1S/C61H103O9P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-68-71(66,67)70-61-60(65)59(64)58(63)57(45-62)69-61/h23,25,27,29,31,33,35,37,39,41,56-65H,13-22,24,26,28,30,32,34,36,38,40,42-45H2,1-12H3,(H,66,67)/b47-25+,48-27?,49-29-,50-31?,51-33+,52-35+,53-37+,54-39-,55-41?/t56-,57-,58-,59+,60+,61+/m1/s1 ; MJC InChIKey InChI 1.03 FVCCNKBLEFCPJO-ALFQADJPSA-N MJC SMILES_CANONICAL CACTVS 3.385 "C[C@@H](CCO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C" MJC SMILES CACTVS 3.385 "C[CH](CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C" MJC SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "C[C@H](CCC=C(C)CCC=C(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O" MJC SMILES "OpenEye OEToolkits" 2.0.6 "CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OC1C(C(C(C(O1)CO)O)O)O" # 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 MJC "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{R},14~{E},18~{E},22~{E},30~{Z},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,10,14,18,22,26,30,34,38,42-decaenyl] hydrogen phosphate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site MJC "Create component" 2016-12-08 RCSB MJC "Initial release" 2017-08-09 RCSB #