data_COY # _chem_comp.id COY _chem_comp.name "CO-(ADENIN-9-YL-PENTYL)-COBALAMIN" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C72 H106 Co N18 O14 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 1 _chem_comp.pdbx_initial_date 2000-02-16 _chem_comp.pdbx_modified_date 2023-09-23 _chem_comp.pdbx_ambiguous_flag Y _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 1537.631 _chem_comp.one_letter_code ? _chem_comp.three_letter_code COY _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 1EGV _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 COY CO CO CO 2 0 N N N 66.613 -6.385 214.456 66.613 -6.385 214.456 CO COY 1 COY N21 N21 N 0 1 N N R 67.782 -7.594 215.229 67.782 -7.594 215.229 N21 COY 2 COY N22 N22 N 0 1 N N S 66.395 -5.502 216.101 66.395 -5.502 216.101 N22 COY 3 COY N23 N23 N 0 1 N N R 65.447 -5.288 213.461 65.447 -5.288 213.461 N23 COY 4 COY N24 N24 N -1 1 N N N 67.119 -7.232 212.880 67.119 -7.232 212.880 N24 COY 5 COY C1 C1 C 0 1 N N R 68.181 -8.813 214.420 68.181 -8.813 214.420 C1 COY 6 COY C20 C20 C 0 1 N N N 67.154 -9.890 214.453 67.154 -9.890 214.453 C20 COY 7 COY C2 C2 C 0 1 N N S 69.538 -9.260 215.143 69.538 -9.260 215.143 C2 COY 8 COY C25 C25 C 0 1 N N N 69.796 -10.746 215.094 69.796 -10.746 215.094 C25 COY 9 COY C26 C26 C 0 1 N N N 70.753 -8.484 214.611 70.753 -8.484 214.611 C26 COY 10 COY C27 C27 C 0 1 N N N 72.050 -8.950 215.307 72.050 -8.950 215.307 C27 COY 11 COY O28 O28 O 0 1 N N N 72.252 -8.672 216.479 72.252 -8.672 216.479 O28 COY 12 COY N29 N29 N 0 1 N N N 72.919 -9.666 214.610 72.919 -9.666 214.610 N29 COY 13 COY C3 C3 C 0 1 N N S 69.253 -8.773 216.610 69.253 -8.773 216.610 C3 COY 14 COY C30 C30 C 0 1 N N N 68.646 -9.734 217.673 68.646 -9.734 217.673 C30 COY 15 COY C31 C31 C 0 1 N N N 69.679 -10.465 218.471 69.679 -10.465 218.471 C31 COY 16 COY C32 C32 C 0 1 N N N 69.097 -11.359 219.531 69.097 -11.359 219.531 C32 COY 17 COY O34 O34 O 0 1 N N N 69.470 -12.496 219.750 69.470 -12.496 219.750 O34 COY 18 COY N33 N33 N 0 1 N N N 68.157 -10.827 220.223 68.157 -10.827 220.223 N33 COY 19 COY C4 C4 C 0 1 N N N 68.386 -7.533 216.377 68.386 -7.533 216.377 C4 COY 20 COY C5 C5 C 0 1 N N N 68.160 -6.534 217.363 68.160 -6.534 217.363 C5 COY 21 COY C35 C35 C 0 1 N N N 69.105 -6.533 218.532 69.105 -6.533 218.532 C35 COY 22 COY C6 C6 C 0 1 N N R 67.045 -5.728 217.310 67.045 -5.728 217.310 C6 COY 23 COY C7 C7 C 0 1 N N S 66.712 -4.587 218.317 66.712 -4.587 218.317 C7 COY 24 COY C36 C36 C 0 1 N N N 66.460 -5.010 219.760 66.460 -5.010 219.760 C36 COY 25 COY C37 C37 C 0 1 N N N 67.732 -3.427 218.252 67.732 -3.427 218.252 C37 COY 26 COY C38 C38 C 0 1 N N N 67.526 -2.190 219.156 67.526 -2.190 219.156 C38 COY 27 COY O39 O39 O 0 1 N N N 66.539 -2.061 219.836 66.539 -2.061 219.836 O39 COY 28 COY N40 N40 N 0 1 N N N 68.532 -1.275 219.103 68.532 -1.275 219.103 N40 COY 29 COY C8 C8 C 0 1 N N S 65.393 -4.035 217.723 65.393 -4.035 217.723 C8 COY 30 COY C41 C41 C 0 1 N N N 64.149 -4.794 218.318 64.149 -4.794 218.318 C41 COY 31 COY C42 C42 C 0 1 N N N 62.794 -4.269 217.821 62.794 -4.269 217.821 C42 COY 32 COY C43 C43 C 0 1 N N N 61.656 -5.225 217.708 61.656 -5.225 217.708 C43 COY 33 COY O44 O44 O 0 1 N N N 61.742 -6.204 216.943 61.742 -6.204 216.943 O44 COY 34 COY N45 N45 N 0 1 N N N 60.584 -4.994 218.424 60.584 -4.994 218.424 N45 COY 35 COY C9 C9 C 0 1 N N N 65.517 -4.482 216.266 65.517 -4.482 216.266 C9 COY 36 COY C10 C10 C 0 1 N N N 64.823 -3.820 215.260 64.823 -3.820 215.260 C10 COY 37 COY C11 C11 C 0 1 N N S 64.816 -4.140 213.925 64.816 -4.140 213.925 C11 COY 38 COY C12 C12 C 0 1 N N N 64.204 -3.357 212.760 64.204 -3.357 212.760 C12 COY 39 COY C46 C46 C 0 1 N N N 65.369 -2.503 212.147 65.369 -2.503 212.147 C46 COY 40 COY C47 C47 C 0 1 N N N 63.088 -2.435 213.167 63.088 -2.435 213.167 C47 COY 41 COY C13 C13 C 0 1 N N S 63.913 -4.507 211.770 63.913 -4.507 211.770 C13 COY 42 COY C48 C48 C 0 1 N N N 62.531 -5.173 211.853 62.531 -5.173 211.853 C48 COY 43 COY C49 C49 C 0 1 N N N 62.076 -5.798 213.229 62.076 -5.798 213.229 C49 COY 44 COY C50 C50 C 0 1 N N N 60.632 -6.044 213.392 60.632 -6.044 213.392 C50 COY 45 COY O51 O51 O 0 1 N N N 59.837 -6.056 212.432 59.837 -6.056 212.432 O51 COY 46 COY N52 N52 N 0 1 N N N 60.237 -6.272 214.659 60.237 -6.272 214.659 N52 COY 47 COY C14 C14 C 0 1 N N N 64.993 -5.529 212.164 64.993 -5.529 212.164 C14 COY 48 COY C15 C15 C 0 1 N N N 65.603 -6.357 211.244 65.603 -6.357 211.244 C15 COY 49 COY C53 C53 C 0 1 N N N 64.989 -6.281 209.864 64.989 -6.281 209.864 C53 COY 50 COY C16 C16 C 0 1 N N R 66.697 -7.207 211.623 66.697 -7.207 211.623 C16 COY 51 COY C17 C17 C 0 1 N N R 67.617 -8.020 210.694 67.617 -8.020 210.694 C17 COY 52 COY C54 C54 C 0 1 N N N 68.742 -7.043 210.236 68.742 -7.043 210.236 C54 COY 53 COY C55 C55 C 0 1 N N N 67.051 -8.809 209.518 67.051 -8.809 209.518 C55 COY 54 COY C56 C56 C 0 1 N N N 65.903 -9.794 209.824 65.903 -9.794 209.824 C56 COY 55 COY C57 C57 C 0 1 N N N 65.158 -10.235 208.603 65.158 -10.235 208.603 C57 COY 56 COY O58 O58 O 0 1 N N N 64.926 -9.345 207.711 64.926 -9.345 207.711 O58 COY 57 COY N59 N59 N 0 1 N N N 64.748 -11.477 208.446 64.748 -11.477 208.446 N59 COY 58 COY C18 C18 C 0 1 N N R 68.240 -9.033 211.734 68.240 -9.033 211.734 C18 COY 59 COY C60 C60 C 0 1 N N N 69.594 -9.642 211.416 69.594 -9.642 211.416 C60 COY 60 COY C61 C61 C 0 1 N N N 69.557 -11.161 211.411 69.557 -11.161 211.411 C61 COY 61 COY O63 O63 O 0 1 N N N 68.498 -11.734 211.058 68.498 -11.734 211.058 O63 COY 62 COY N62 N62 N 0 1 N N N 70.597 -11.886 211.753 70.597 -11.886 211.753 N62 COY 63 COY C19 C19 C 0 1 N N R 68.301 -8.146 212.997 68.301 -8.146 212.997 C19 COY 64 COY C1P C1P C 0 1 N N N 63.982 -11.811 207.244 63.982 -11.811 207.244 C1P COY 65 COY C2P C2P C 0 1 N N R 62.480 -11.821 207.464 62.480 -11.821 207.464 C2P COY 66 COY C3P C3P C 0 1 N N N 61.666 -12.099 206.230 61.666 -12.099 206.230 C3P COY 67 COY O3 O3 O 0 1 N N N 62.285 -12.913 208.402 62.285 -12.913 208.402 O3 COY 68 COY O4 O4 O 0 1 N N N 61.481 -13.812 210.566 61.481 -13.812 210.566 O4 COY 69 COY O5 O5 O 0 1 N N N 60.060 -12.113 209.317 60.060 -12.113 209.317 O5 COY 70 COY P P P 0 1 N N N 61.410 -12.626 209.684 61.410 -12.626 209.684 P COY 71 COY O2 O2 O 0 1 N N N 62.304 -11.446 210.326 62.304 -11.446 210.326 O2 COY 72 COY C3R C3R C 0 1 N N S 61.866 -10.753 211.491 61.866 -10.753 211.491 C3R COY 73 COY C2R C2R C 0 1 N N R 62.761 -10.864 212.668 62.761 -10.864 212.668 C2R COY 74 COY O7R O7R O 0 1 N N N 64.110 -10.676 212.354 64.110 -10.676 212.354 O7R COY 75 COY C1R C1R C 0 1 N N S 62.262 -9.663 213.514 62.262 -9.663 213.514 C1R COY 76 COY O6R O6R O 0 1 N N N 61.760 -8.704 212.618 61.760 -8.704 212.618 O6R COY 77 COY C4R C4R C 0 1 N N R 61.782 -9.265 211.252 61.782 -9.265 211.252 C4R COY 78 COY C5R C5R C 0 1 N N N 60.542 -8.733 210.557 60.542 -8.733 210.557 C5R COY 79 COY O8R O8R O 0 1 N N N 59.347 -8.989 211.275 59.347 -8.989 211.275 O8R COY 80 COY N1B N1B N 0 1 Y N N 63.236 -9.027 214.351 63.236 -9.027 214.351 N1B COY 81 COY C8B C8B C 0 1 Y N N 63.408 -9.113 215.703 63.408 -9.113 215.703 C8B COY 82 COY C2B C2B C 0 1 Y N N 64.215 -8.213 213.897 64.215 -8.213 213.897 C2B COY 83 COY N3B N3B N 0 1 Y N N 65.068 -7.774 214.814 65.068 -7.774 214.814 N3B COY 84 COY C9B C9B C 0 1 Y N N 64.556 -8.357 215.997 64.556 -8.357 215.997 C9B COY 85 COY C4B C4B C 0 1 Y N N 65.039 -8.346 217.323 65.039 -8.346 217.323 C4B COY 86 COY C5B C5B C 0 1 Y N N 64.382 -9.028 218.335 64.382 -9.028 218.335 C5B COY 87 COY C5M C5M C 0 1 N N N 64.905 -8.924 219.743 64.905 -8.924 219.743 C5M COY 88 COY C6B C6B C 0 1 Y N N 63.224 -9.812 218.015 63.224 -9.812 218.015 C6B COY 89 COY C6M C6M C 0 1 N N N 62.475 -10.549 219.093 62.475 -10.549 219.093 C6M COY 90 COY C7B C7B C 0 1 Y N N 62.759 -9.830 216.693 62.759 -9.830 216.693 C7B COY 91 COY C71 C71 C 0 1 N N N 68.502 -0.794 214.314 68.502 -0.794 214.314 C71 COY 92 COY C72 C72 C 0 1 N N N 69.697 -1.708 214.244 69.697 -1.708 214.244 C72 COY 93 COY C73 C73 C 0 1 N N N 69.413 -3.125 213.814 69.413 -3.125 213.814 C73 COY 94 COY C74 C74 C 0 1 N N N 68.205 -3.754 214.478 68.205 -3.754 214.478 C74 COY 95 COY C75 C75 C 0 1 N N N 67.961 -5.150 213.924 67.961 -5.150 213.924 C75 COY 96 COY N6A N6A N 0 1 N N N 65.075 1.346 209.798 65.075 1.346 209.798 N6A COY 97 COY C6A C6A C 0 1 Y N N 65.460 1.211 211.116 65.460 1.211 211.116 C6A COY 98 COY C5A C5A C 0 1 Y N N 66.598 0.482 211.506 66.598 0.482 211.506 C5A COY 99 COY N7A N7A N 0 1 Y N N 67.419 -0.413 210.820 67.419 -0.413 210.820 N7A COY 100 COY C8A C8A C 0 1 Y N N 68.240 -0.848 211.741 68.240 -0.848 211.741 C8A COY 101 COY N9A N9A N 0 1 Y N N 67.945 -0.389 213.005 67.945 -0.389 213.005 N9A COY 102 COY C4A C4A C 0 1 Y N N 66.798 0.376 212.872 66.798 0.376 212.872 C4A COY 103 COY N3A N3A N 0 1 Y N N 66.113 0.967 213.879 66.113 0.967 213.879 N3A COY 104 COY C2A C2A C 0 1 Y N N 65.145 1.736 213.371 65.145 1.736 213.371 C2A COY 105 COY N1A N1A N 0 1 Y N N 64.778 1.856 212.080 64.778 1.856 212.080 N1A COY 106 COY H201 H201 H 0 0 N N N 67.498 -10.744 213.851 67.498 -10.744 213.851 H201 COY 107 COY H202 H202 H 0 0 N N N 66.996 -10.214 215.492 66.996 -10.214 215.492 H202 COY 108 COY H203 H203 H 0 0 N N N 66.209 -9.508 214.040 66.209 -9.508 214.040 H203 COY 109 COY H251 H251 H 0 0 N N N 70.741 -10.972 215.609 70.741 -10.972 215.609 H251 COY 110 COY H252 H252 H 0 0 N N N 68.972 -11.278 215.591 68.971 -11.278 215.591 H252 COY 111 COY H253 H253 H 0 0 N N N 69.863 -11.072 214.046 69.863 -11.072 214.046 H253 COY 112 COY H261 H261 H 0 0 N N N 70.844 -8.655 213.528 70.844 -8.655 213.528 H261 COY 113 COY H262 H262 H 0 0 N N N 70.607 -7.411 214.802 70.607 -7.411 214.802 H262 COY 114 COY H291 H291 H 0 0 N N N 73.760 -9.990 215.042 73.760 -9.990 215.042 H291 COY 115 COY H292 H292 H 0 0 N N N 72.734 -9.882 213.651 72.734 -9.882 213.651 H292 COY 116 COY H3 H3 H 0 1 N N N 70.214 -8.421 217.015 70.214 -8.421 217.014 H3 COY 117 COY H301 H301 H 0 0 N N N 68.026 -9.144 218.363 68.026 -9.144 218.363 H301 COY 118 COY H302 H302 H 0 0 N N N 68.017 -10.474 217.156 68.017 -10.474 217.156 H302 COY 119 COY H311 H311 H 0 0 N N N 70.276 -11.083 217.784 70.276 -11.083 217.784 H311 COY 120 COY H312 H312 H 0 0 N N N 70.330 -9.725 218.959 70.330 -9.725 218.959 H312 COY 121 COY H331 H331 H 0 0 N N N 67.719 -11.348 220.955 67.719 -11.348 220.956 H331 COY 122 COY H332 H332 H 0 0 N N N 67.862 -9.891 220.030 67.862 -9.891 220.030 H332 COY 123 COY H351 H351 H 0 0 N N N 68.833 -5.722 219.223 68.833 -5.722 219.223 H351 COY 124 COY H352 H352 H 0 0 N N N 69.041 -7.498 219.056 69.041 -7.498 219.056 H352 COY 125 COY H353 H353 H 0 0 N N N 70.133 -6.379 218.172 70.133 -6.379 218.172 H353 COY 126 COY H66 H66 H 0 1 N N N 66.329 -6.459 217.714 66.329 -6.459 217.714 H66 COY 127 COY H361 H361 H 0 0 N N N 66.237 -4.122 220.369 66.237 -4.122 220.369 H361 COY 128 COY H362 H362 H 0 0 N N N 65.606 -5.703 219.795 65.606 -5.703 219.795 H362 COY 129 COY H363 H363 H 0 0 N N N 67.355 -5.511 220.157 67.355 -5.511 220.157 H363 COY 130 COY H371 H371 H 0 0 N N N 68.716 -3.849 218.505 68.716 -3.849 218.505 H371 COY 131 COY H372 H372 H 0 0 N N N 67.744 -3.067 217.213 67.744 -3.067 217.213 H372 COY 132 COY H401 H401 H 0 0 N N N 68.476 -0.439 219.648 68.476 -0.439 219.648 H401 COY 133 COY H402 H402 H 0 0 N N N 69.327 -1.439 218.519 69.327 -1.439 218.519 H402 COY 134 COY H8 H8 H 0 1 N N N 65.305 -2.944 217.830 65.305 -2.944 217.830 H8 COY 135 COY H411 H411 H 0 0 N N N 64.229 -5.856 218.043 64.229 -5.856 218.043 H411 COY 136 COY H412 H412 H 0 0 N N N 64.176 -4.696 219.413 64.176 -4.695 219.413 H412 COY 137 COY H421 H421 H 0 0 N N N 62.481 -3.473 218.513 62.481 -3.473 218.513 H421 COY 138 COY H422 H422 H 0 0 N N N 62.959 -3.842 216.821 62.959 -3.842 216.821 H422 COY 139 COY H451 H451 H 0 0 N N N 59.801 -5.613 218.366 59.801 -5.614 218.366 H451 COY 140 COY H452 H452 H 0 0 N N N 60.548 -4.198 219.028 60.548 -4.198 219.028 H452 COY 141 COY H10 H10 H 0 1 N N N 64.230 -2.968 215.559 64.230 -2.968 215.559 H10 COY 142 COY H111 H111 H 0 0 N N N 63.877 -4.698 214.054 63.877 -4.698 214.054 H111 COY 143 COY H461 H461 H 0 0 N N N 64.987 -1.915 211.300 64.987 -1.915 211.300 H461 COY 144 COY H462 H462 H 0 0 N N N 65.768 -1.823 212.914 65.768 -1.824 212.914 H462 COY 145 COY H463 H463 H 0 0 N N N 66.169 -3.172 211.797 66.169 -3.172 211.797 H463 COY 146 COY H471 H471 H 0 0 N N N 62.702 -1.911 212.280 62.702 -1.911 212.280 H471 COY 147 COY H472 H472 H 0 0 N N N 62.279 -3.020 213.628 62.278 -3.020 213.628 H472 COY 148 COY H473 H473 H 0 0 N N N 63.466 -1.699 213.892 63.466 -1.699 213.892 H473 COY 149 COY H13 H13 H 0 1 N N N 64.093 -4.159 210.742 64.093 -4.160 210.742 H13 COY 150 COY H481 H481 H 0 0 N N N 61.786 -4.410 211.581 61.786 -4.410 211.581 H481 COY 151 COY H482 H482 H 0 0 N N N 62.516 -5.982 211.108 62.516 -5.982 211.108 H482 COY 152 COY H491 H491 H 0 0 N N N 62.595 -6.761 213.347 62.595 -6.761 213.347 H491 COY 153 COY H492 H492 H 0 0 N N N 62.391 -5.111 214.029 62.391 -5.111 214.029 H492 COY 154 COY H521 H521 H 0 0 N N N 59.275 -6.460 214.857 59.275 -6.460 214.857 H521 COY 155 COY H522 H522 H 0 0 N N N 60.906 -6.254 215.402 60.906 -6.254 215.402 H522 COY 156 COY H531 H531 H 0 0 N N N 65.523 -6.964 209.186 65.523 -6.964 209.186 H531 COY 157 COY H532 H532 H 0 0 N N N 63.930 -6.572 209.918 63.930 -6.572 209.918 H532 COY 158 COY H533 H533 H 0 0 N N N 65.068 -5.252 209.484 65.068 -5.252 209.484 H533 COY 159 COY H116 H116 H 0 0 N N N 66.030 -8.067 211.781 66.030 -8.067 211.781 H116 COY 160 COY H541 H541 H 0 0 N N N 69.436 -7.571 209.565 69.436 -7.571 209.565 H541 COY 161 COY H542 H542 H 0 0 N N N 68.293 -6.191 209.704 68.294 -6.191 209.704 H542 COY 162 COY H543 H543 H 0 0 N N N 69.291 -6.677 211.116 69.291 -6.677 211.116 H543 COY 163 COY H551 H551 H 0 0 N N N 66.678 -8.083 208.780 66.678 -8.083 208.780 H551 COY 164 COY H552 H552 H 0 0 N N N 67.877 -9.388 209.078 67.877 -9.388 209.078 H552 COY 165 COY H561 H561 H 0 0 N N N 66.327 -10.683 210.314 66.327 -10.683 210.314 H561 COY 166 COY H562 H562 H 0 0 N N N 65.194 -9.302 210.507 65.194 -9.302 210.507 H562 COY 167 COY H59 H59 H 0 1 N N N 64.955 -12.175 209.132 64.955 -12.175 209.132 H59 COY 168 COY H18 H18 H 0 1 N N N 67.514 -9.842 211.905 67.514 -9.842 211.905 H18 COY 169 COY H601 H601 H 0 0 N N N 69.914 -9.293 210.423 69.914 -9.293 210.423 H601 COY 170 COY H602 H602 H 0 0 N N N 70.318 -9.308 212.174 70.318 -9.308 212.173 H602 COY 171 COY H621 H621 H 0 0 N N N 70.540 -12.884 211.730 70.540 -12.884 211.730 H621 COY 172 COY H622 H622 H 0 0 N N N 71.446 -11.440 212.036 71.446 -11.440 212.036 H622 COY 173 COY H119 H119 H 0 0 N N N 69.226 -7.552 212.969 69.226 -7.552 212.969 H119 COY 174 COY H1P1 H1P1 H 0 0 N N N 64.215 -11.069 206.466 64.215 -11.069 206.466 H1P1 COY 175 COY H1P2 H1P2 H 0 0 N N N 64.290 -12.810 206.902 64.290 -12.810 206.902 H1P2 COY 176 COY H2P H2P H 0 1 N N N 62.165 -10.867 207.911 62.166 -10.867 207.911 H2P COY 177 COY H3P1 H3P1 H 0 0 N N N 60.596 -12.086 206.485 60.596 -12.086 206.485 H3P1 COY 178 COY H3P2 H3P2 H 0 0 N N N 61.872 -11.327 205.474 61.872 -11.327 205.474 H3P2 COY 179 COY H3P3 H3P3 H 0 0 N N N 61.935 -13.087 205.828 61.935 -13.087 205.828 H3P3 COY 180 COY HOP5 HOP5 H 0 0 N N N 59.394 -12.653 209.726 59.394 -12.653 209.726 HOP5 COY 181 COY H3R H3R H 0 1 N N N 60.866 -11.113 211.776 60.866 -11.113 211.775 H3R COY 182 COY H2R H2R H 0 1 N N N 62.585 -11.805 213.210 62.585 -11.805 213.210 H2R COY 183 COY HOR7 HOR7 H 0 0 N N N 64.634 -10.758 213.142 64.633 -10.758 213.143 HOR7 COY 184 COY H1R H1R H 0 1 N N N 61.440 -10.029 214.146 61.440 -10.030 214.146 H1R COY 185 COY H4R H4R H 0 1 N N N 62.680 -8.924 210.716 62.680 -8.924 210.716 H4R COY 186 COY H5R1 H5R1 H 0 0 N N N 60.650 -7.645 210.434 60.650 -7.645 210.434 H5R1 COY 187 COY H5R2 H5R2 H 0 0 N N N 60.464 -9.208 209.568 60.464 -9.208 209.568 H5R2 COY 188 COY HOR8 HOR8 H 0 0 N N N 58.607 -8.636 210.795 58.607 -8.636 210.795 HOR8 COY 189 COY H2B H2B H 0 1 N N N 64.298 -7.938 212.856 64.298 -7.938 212.856 H2B COY 190 COY H4B H4B H 0 1 N N N 65.939 -7.795 217.554 65.939 -7.795 217.554 H4B COY 191 COY HM51 HM51 H 0 0 N N N 64.428 -8.073 220.250 64.428 -8.073 220.250 HM51 COY 192 COY HM52 HM52 H 0 0 N N N 64.675 -9.851 220.289 64.675 -9.851 220.289 HM52 COY 193 COY HM53 HM53 H 0 0 N N N 65.994 -8.773 219.719 65.994 -8.773 219.719 HM53 COY 194 COY HM61 HM61 H 0 0 N N N 61.708 -9.889 219.524 61.708 -9.889 219.524 HM61 COY 195 COY HM62 HM62 H 0 0 N N N 61.993 -11.439 218.662 61.993 -11.439 218.662 HM62 COY 196 COY HM63 HM63 H 0 0 N N N 63.177 -10.859 219.881 63.177 -10.858 219.881 HM63 COY 197 COY H7B H7B H 0 1 N N N 61.883 -10.411 216.444 61.883 -10.411 216.444 H7B COY 198 COY H711 H711 H 0 0 N N N 67.710 -1.311 214.876 67.710 -1.311 214.876 H711 COY 199 COY H712 H712 H 0 0 N N N 68.801 0.117 214.854 68.801 0.117 214.854 H712 COY 200 COY H721 H721 H 0 0 N N N 70.412 -1.275 213.529 70.412 -1.275 213.529 H721 COY 201 COY H722 H722 H 0 0 N N N 70.154 -1.744 215.244 70.154 -1.744 215.244 H722 COY 202 COY H731 H731 H 0 0 N N N 69.247 -3.127 212.727 69.247 -3.127 212.727 H731 COY 203 COY H732 H732 H 0 0 N N N 70.294 -3.739 214.052 70.294 -3.739 214.052 H732 COY 204 COY H741 H741 H 0 0 N N N 68.381 -3.820 215.562 68.381 -3.820 215.562 H741 COY 205 COY H742 H742 H 0 0 N N N 67.320 -3.129 214.287 67.320 -3.129 214.287 H742 COY 206 COY H751 H751 H 0 0 N N N 68.910 -5.684 214.080 68.910 -5.685 214.080 H751 COY 207 COY H752 H752 H 0 0 N N N 67.797 -5.001 212.847 67.797 -5.001 212.847 H752 COY 208 COY H6A1 H6A1 H 0 0 N N N 64.281 1.952 209.742 64.281 1.952 209.742 H6A1 COY 209 COY H6A2 H6A2 H 0 0 N N N 65.829 1.735 209.269 65.829 1.735 209.269 H6A2 COY 210 COY H8A H8A H 0 1 N N N 69.071 -1.505 211.530 69.071 -1.505 211.530 H8A COY 211 COY H2A H2A H 0 1 N N N 64.591 2.333 214.080 64.590 2.333 214.080 H2A COY 212 # 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 COY CO N21 SING N N 1 COY CO N22 SING N N 2 COY CO N23 SING N N 3 COY CO N24 SING N N 4 COY CO C75 SING N N 5 COY N21 C1 SING N N 6 COY N21 C4 SING N N 7 COY N22 C6 SING N N 8 COY N22 C9 SING N N 9 COY N23 C11 SING N N 10 COY N23 C14 SING N N 11 COY N24 C16 SING N N 12 COY N24 C19 SING N N 13 COY C1 C20 SING N N 14 COY C1 C2 SING N N 15 COY C1 C19 SING N N 16 COY C20 H201 SING N N 17 COY C20 H202 SING N N 18 COY C20 H203 SING N N 19 COY C2 C25 SING N N 20 COY C2 C26 SING N N 21 COY C2 C3 SING N N 22 COY C25 H251 SING N N 23 COY C25 H252 SING N N 24 COY C25 H253 SING N N 25 COY C26 C27 SING N N 26 COY C26 H261 SING N N 27 COY C26 H262 SING N N 28 COY C27 O28 DOUB N N 29 COY C27 N29 SING N N 30 COY N29 H291 SING N N 31 COY N29 H292 SING N N 32 COY C3 C30 SING N N 33 COY C3 C4 SING N N 34 COY C3 H3 SING N N 35 COY C30 C31 SING N N 36 COY C30 H301 SING N N 37 COY C30 H302 SING N N 38 COY C31 C32 SING N N 39 COY C31 H311 SING N N 40 COY C31 H312 SING N N 41 COY C32 O34 DOUB N N 42 COY C32 N33 SING N N 43 COY N33 H331 SING N N 44 COY N33 H332 SING N N 45 COY C4 C5 DOUB N N 46 COY C5 C35 SING N N 47 COY C5 C6 SING N N 48 COY C35 H351 SING N N 49 COY C35 H352 SING N N 50 COY C35 H353 SING N N 51 COY C6 C7 SING N N 52 COY C6 H66 SING N N 53 COY C7 C36 SING N N 54 COY C7 C37 SING N N 55 COY C7 C8 SING N N 56 COY C36 H361 SING N N 57 COY C36 H362 SING N N 58 COY C36 H363 SING N N 59 COY C37 C38 SING N N 60 COY C37 H371 SING N N 61 COY C37 H372 SING N N 62 COY C38 O39 DOUB N N 63 COY C38 N40 SING N N 64 COY N40 H401 SING N N 65 COY N40 H402 SING N N 66 COY C8 C41 SING N N 67 COY C8 C9 SING N N 68 COY C8 H8 SING N N 69 COY C41 C42 SING N N 70 COY C41 H411 SING N N 71 COY C41 H412 SING N N 72 COY C42 C43 SING N N 73 COY C42 H421 SING N N 74 COY C42 H422 SING N N 75 COY C43 O44 DOUB N N 76 COY C43 N45 SING N N 77 COY N45 H451 SING N N 78 COY N45 H452 SING N N 79 COY C9 C10 DOUB N N 80 COY C10 C11 SING N N 81 COY C10 H10 SING N N 82 COY C11 C12 SING N N 83 COY C11 H111 SING N N 84 COY C12 C46 SING N N 85 COY C12 C47 SING N N 86 COY C12 C13 SING N N 87 COY C46 H461 SING N N 88 COY C46 H462 SING N N 89 COY C46 H463 SING N N 90 COY C47 H471 SING N N 91 COY C47 H472 SING N N 92 COY C47 H473 SING N N 93 COY C13 C48 SING N N 94 COY C13 C14 SING N N 95 COY C13 H13 SING N N 96 COY C48 C49 SING N N 97 COY C48 H481 SING N N 98 COY C48 H482 SING N N 99 COY C49 C50 SING N N 100 COY C49 H491 SING N N 101 COY C49 H492 SING N N 102 COY C50 O51 DOUB N N 103 COY C50 N52 SING N N 104 COY N52 H521 SING N N 105 COY N52 H522 SING N N 106 COY C14 C15 DOUB N N 107 COY C15 C53 SING N N 108 COY C15 C16 SING N N 109 COY C53 H531 SING N N 110 COY C53 H532 SING N N 111 COY C53 H533 SING N N 112 COY C16 C17 SING N N 113 COY C16 H116 SING N N 114 COY C17 C54 SING N N 115 COY C17 C55 SING N N 116 COY C17 C18 SING N N 117 COY C54 H541 SING N N 118 COY C54 H542 SING N N 119 COY C54 H543 SING N N 120 COY C55 C56 SING N N 121 COY C55 H551 SING N N 122 COY C55 H552 SING N N 123 COY C56 C57 SING N N 124 COY C56 H561 SING N N 125 COY C56 H562 SING N N 126 COY C57 O58 DOUB N N 127 COY C57 N59 SING N N 128 COY N59 C1P SING N N 129 COY N59 H59 SING N N 130 COY C18 C60 SING N N 131 COY C18 C19 SING N N 132 COY C18 H18 SING N N 133 COY C60 C61 SING N N 134 COY C60 H601 SING N N 135 COY C60 H602 SING N N 136 COY C61 O63 DOUB N N 137 COY C61 N62 SING N N 138 COY N62 H621 SING N N 139 COY N62 H622 SING N N 140 COY C19 H119 SING N N 141 COY C1P C2P SING N N 142 COY C1P H1P1 SING N N 143 COY C1P H1P2 SING N N 144 COY C2P C3P SING N N 145 COY C2P O3 SING N N 146 COY C2P H2P SING N N 147 COY C3P H3P1 SING N N 148 COY C3P H3P2 SING N N 149 COY C3P H3P3 SING N N 150 COY O3 P SING N N 151 COY O4 P DOUB N N 152 COY O5 P SING N N 153 COY O5 HOP5 SING N N 154 COY P O2 SING N N 155 COY O2 C3R SING N N 156 COY C3R C2R SING N N 157 COY C3R C4R SING N N 158 COY C3R H3R SING N N 159 COY C2R O7R SING N N 160 COY C2R C1R SING N N 161 COY C2R H2R SING N N 162 COY O7R HOR7 SING N N 163 COY C1R O6R SING N N 164 COY C1R N1B SING N N 165 COY C1R H1R SING N N 166 COY O6R C4R SING N N 167 COY C4R C5R SING N N 168 COY C4R H4R SING N N 169 COY C5R O8R SING N N 170 COY C5R H5R1 SING N N 171 COY C5R H5R2 SING N N 172 COY O8R HOR8 SING N N 173 COY N1B C8B SING Y N 174 COY N1B C2B SING Y N 175 COY C8B C9B SING Y N 176 COY C8B C7B DOUB Y N 177 COY C2B N3B DOUB Y N 178 COY C2B H2B SING N N 179 COY N3B C9B SING Y N 180 COY C9B C4B DOUB Y N 181 COY C4B C5B SING Y N 182 COY C4B H4B SING N N 183 COY C5B C5M SING N N 184 COY C5B C6B DOUB Y N 185 COY C5M HM51 SING N N 186 COY C5M HM52 SING N N 187 COY C5M HM53 SING N N 188 COY C6B C6M SING N N 189 COY C6B C7B SING Y N 190 COY C6M HM61 SING N N 191 COY C6M HM62 SING N N 192 COY C6M HM63 SING N N 193 COY C7B H7B SING N N 194 COY C71 C72 SING N N 195 COY C71 N9A SING N N 196 COY C71 H711 SING N N 197 COY C71 H712 SING N N 198 COY C72 C73 SING N N 199 COY C72 H721 SING N N 200 COY C72 H722 SING N N 201 COY C73 C74 SING N N 202 COY C73 H731 SING N N 203 COY C73 H732 SING N N 204 COY C74 C75 SING N N 205 COY C74 H741 SING N N 206 COY C74 H742 SING N N 207 COY C75 H751 SING N N 208 COY C75 H752 SING N N 209 COY N6A C6A SING N N 210 COY N6A H6A1 SING N N 211 COY N6A H6A2 SING N N 212 COY C6A C5A DOUB Y N 213 COY C6A N1A SING Y N 214 COY C5A N7A SING Y N 215 COY C5A C4A SING Y N 216 COY N7A C8A DOUB Y N 217 COY C8A N9A SING Y N 218 COY C8A H8A SING N N 219 COY N9A C4A SING Y N 220 COY C4A N3A DOUB Y N 221 COY N3A C2A SING Y N 222 COY C2A N1A DOUB Y N 223 COY C2A H2A SING N N 224 # 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 COY InChI InChI 1.06 "InChI=1S/C62H92N13O14P.C10H14N5.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2-3-4-5-15-7-14-8-9(11)12-6-13-10(8)15;/h20-21,23,28,31,34-37,41-42,52-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);6-7H,1-5H2,(H2,11,12,13);/q-4;;+5/b38-23-,50-32-,51-33-;;/t31-,34-,35-,36-,37+,41-,42+,52-,53-,54+,55+,56-,57+,59-,60+,61+,62+;;/m1../s1" COY InChIKey InChI 1.06 KWGNLVVAVJCVFN-OGKXECBZSA-N COY SMILES_CANONICAL CACTVS 3.385 "C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N-][C@H]1C(=C3[C@@H](CCC(N)=O)C(C)(C)[C@@H]4C=C5[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@H]6[N@@]5[Co++](CCCCCn7cnc8c(N)ncnc78)([N@@]34)[N@@]9C(=C6C)[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]29C)C)O[P](O)(=O)O[C@H]%10[C@@H](O)[C@H](O[C@@H]%10CO)n%11cnc%12cc(C)c(C)cc%11%12" COY SMILES CACTVS 3.385 "C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N-][CH]1C(=C3[CH](CCC(N)=O)C(C)(C)[CH]4C=C5[CH](CCC(N)=O)[C](C)(CC(N)=O)[CH]6[N]5[Co++](CCCCCn7cnc8c(N)ncnc78)([N]34)[N]9C(=C6C)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]29C)C)O[P](O)(=O)O[CH]%10[CH](O)[CH](O[CH]%10CO)n%11cnc%12cc(C)c(C)cc%11%12" COY SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C7=C([C@H]8[C@@]([C@@H](C9=CC1C([C@@H](C2=C(C4[N-]5[Co+2](N89)(N12)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O" COY SMILES "OpenEye OEToolkits" 2.0.7 "Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=C(C8C(C(C9=CC1C(C(C2=C(C4[N-]5[Co+2](N12)(N89)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site COY "Create component" 2000-02-16 RCSB COY "Modify descriptor" 2023-09-23 RCSB #