data_BCL # _chem_comp.id BCL _chem_comp.name "BACTERIOCHLOROPHYLL A" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C55 H74 Mg N4 O6" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _chem_comp.pdbx_modified_date 2026-07-31 _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 911.504 _chem_comp.one_letter_code ? _chem_comp.three_letter_code BCL _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details MetalCoord _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 4BCL _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB _chem_comp.pdbx_comp_type "metal-containing ligand" _chem_comp.pdbx_pcm Y # 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.pdbx_backbone_atom_flag _chem_comp_atom.pdbx_n_terminal_atom_flag _chem_comp_atom.pdbx_c_terminal_atom_flag _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 BCL MG MG MG 2 0 N N N N N N 41.707 47.680 22.121 -2.767 0.743 0.152 MG BCL 1 BCL CHA CHA C 0 1 N N N N N N 38.575 48.897 22.425 -1.702 -2.211 -1.325 CHA BCL 2 BCL CHB CHB C 0 1 N N N N N N 42.547 50.559 20.576 -4.176 -1.111 2.656 CHB BCL 3 BCL CHC CHC C 0 1 N N N N N N 44.968 47.023 22.877 -3.911 3.664 1.527 CHC BCL 4 BCL CHD CHD C 0 1 N N N N N N 40.832 45.174 24.432 -1.309 2.607 -2.486 CHD BCL 5 BCL NA NA N 0 1 N N N N N N 40.684 49.374 21.459 -2.877 -1.354 0.596 NA BCL 6 BCL C1A C1A C 0 1 N N N N N N 39.344 49.683 21.640 -2.299 -2.411 -0.085 C1A BCL 7 BCL C2A C2A C 0 1 N N S N N N 38.995 51.096 21.157 -2.324 -3.698 0.719 C2A BCL 8 BCL C3A C3A C 0 1 N N S N N N 40.214 51.397 20.201 -3.495 -3.392 1.706 C3A BCL 9 BCL C4A C4A C 0 1 N N N N N N 41.197 50.400 20.779 -3.517 -1.865 1.671 C4A BCL 10 BCL CMA CMA C 0 1 N N N N N N 39.891 50.869 18.799 -4.829 -4.029 1.298 CMA BCL 11 BCL CAA CAA C 0 1 N N N N N N 38.821 52.038 22.331 -0.957 -3.981 1.376 CAA BCL 12 BCL CBA CBA C 0 1 N N N N N N 40.075 52.291 23.124 -0.684 -5.434 1.785 CBA BCL 13 BCL CGA CGA C 0 1 N N N N N N 39.808 53.348 24.186 0.451 -6.073 1.039 CGA BCL 14 BCL O1A O1A O 0 1 N N N N N N 38.921 54.061 24.226 0.322 -6.844 0.114 O1A BCL 15 BCL O2A O2A O 0 1 N N N N N N 40.689 53.503 25.048 1.648 -5.673 1.533 O2A BCL 16 BCL NB NB N -1 1 Y N N N N N 43.434 48.539 21.744 -3.889 1.211 1.872 NB BCL 17 BCL C1B C1B C 0 1 Y N N N N N 43.563 49.733 21.089 -4.395 0.318 2.756 C1B BCL 18 BCL C2B C2B C 0 1 Y N N N N N 44.903 50.042 21.015 -5.139 0.983 3.728 C2B BCL 19 BCL C3B C3B C 0 1 Y N N N N N 45.602 49.064 21.609 -5.154 2.371 3.411 C3B BCL 20 BCL C4B C4B C 0 1 Y N N N N N 44.681 48.126 22.137 -4.302 2.478 2.275 C4B BCL 21 BCL CMB CMB C 0 1 N N N N N N 45.415 51.190 20.192 -5.897 0.301 4.835 CMB BCL 22 BCL CAB CAB C 0 1 N N N N N N 47.100 49.137 21.895 -5.717 3.549 4.098 CAB BCL 23 BCL OBB OBB O 0 1 N N N N N N 47.641 48.355 22.585 -6.168 4.495 3.458 OBB BCL 24 BCL CBB CBB C 0 1 N N N N N N 48.031 50.021 21.111 -5.603 3.723 5.586 CBB BCL 25 BCL NC NC N 0 1 N N N N N N 42.646 46.268 23.293 -2.611 2.771 -0.383 NC BCL 26 BCL C1C C1C C 0 1 N N N N N N 43.992 46.205 23.465 -3.198 3.783 0.323 C1C BCL 27 BCL C2C C2C C 0 1 N N R N N N 44.410 45.044 24.336 -3.049 5.128 -0.388 C2C BCL 28 BCL C3C C3C C 0 1 N N R N N N 43.166 44.254 24.546 -1.881 4.847 -1.360 C3C BCL 29 BCL C4C C4C C 0 1 N N N N N N 42.149 45.334 24.158 -1.931 3.324 -1.448 C4C BCL 30 BCL CMC CMC C 0 1 N N N N N N 45.287 44.103 23.541 -4.351 5.615 -1.033 CMC BCL 31 BCL CAC CAC C 0 1 N N N N N N 43.178 44.010 26.059 -0.464 5.376 -0.927 CAC BCL 32 BCL CBC CBC C 0 1 N N N N N N 42.917 45.263 26.909 0.357 5.993 -2.053 CBC BCL 33 BCL ND ND N -1 1 N N N N N N 40.166 47.108 23.164 -1.691 0.367 -1.574 ND BCL 34 BCL C1D C1D C 0 1 N N N N N N 39.876 46.122 24.089 -1.199 1.178 -2.585 C1D BCL 35 BCL C2D C2D C 0 1 N N N N N N 38.509 46.010 24.394 -0.644 0.362 -3.597 C2D BCL 36 BCL C3D C3D C 0 1 N N N N N N 37.978 47.011 23.690 -0.815 -0.981 -3.166 C3D BCL 37 BCL C4D C4D C 0 1 N N N N N N 38.992 47.684 23.013 -1.451 -0.930 -1.937 C4D BCL 38 BCL CMD CMD C 0 1 N N N N N N 37.802 44.889 25.099 -0.004 0.784 -4.879 CMD BCL 39 BCL CAD CAD C 0 1 N N N N N N 36.731 47.838 23.628 -0.580 -2.390 -3.501 CAD BCL 40 BCL OBD OBD O 0 1 N N N N N N 35.496 47.526 23.900 -0.024 -2.894 -4.466 OBD BCL 41 BCL CBD CBD C 0 1 N N R N N N 37.099 49.129 22.796 -1.224 -3.244 -2.337 CBD BCL 42 BCL CGD CGD C 0 1 N N N N N N 36.223 49.030 21.522 -2.355 -4.093 -2.896 CGD BCL 43 BCL O1D O1D O 0 1 N N N N N N 35.972 48.085 21.001 -2.353 -5.295 -2.866 O1D BCL 44 BCL O2D O2D O 0 1 N N N N N N 35.881 50.068 20.906 -3.342 -3.337 -3.415 O2D BCL 45 BCL CED CED C 0 1 N N N N N N 35.647 49.778 19.424 -4.503 -4.007 -3.974 CED BCL 46 BCL C1 C1 C 0 1 N N N N N N 40.458 54.391 26.198 2.936 -6.072 0.993 C1 BCL 47 BCL C2 C2 C 0 1 N N N N N N 40.550 53.651 27.525 3.283 -5.219 -0.188 C2 BCL 48 BCL C3 C3 C 0 1 N N N N N N 41.638 53.614 28.270 3.613 -3.919 -0.234 C3 BCL 49 BCL C4 C4 C 0 1 N N N N N N 42.917 54.259 27.830 3.733 -2.967 0.938 C4 BCL 50 BCL C5 C5 C 0 1 N N N N N N 41.720 52.859 29.618 3.893 -3.289 -1.589 C5 BCL 51 BCL C6 C6 C 0 1 N N N N N N 41.016 51.487 29.492 5.308 -3.524 -2.140 C6 BCL 52 BCL C7 C7 C 0 1 N N N N N N 40.742 51.034 30.929 6.401 -2.510 -1.734 C7 BCL 53 BCL C8 C8 C 0 1 N N R N N N 40.642 49.541 31.084 6.657 -1.337 -2.742 C8 BCL 54 BCL C9 C9 C 0 1 N N N N N N 41.139 48.768 29.863 7.988 -1.523 -3.504 C9 BCL 55 BCL C10 C10 C 0 1 N N N N N N 39.177 49.291 31.263 6.528 0.099 -2.142 C10 BCL 56 BCL C11 C11 C 0 1 N N N N N N 38.978 49.007 32.703 5.188 0.806 -2.423 C11 BCL 57 BCL C12 C12 C 0 1 N N N N N N 37.477 49.127 32.881 4.909 2.093 -1.612 C12 BCL 58 BCL C13 C13 C 0 1 N N R N N N 37.203 49.277 34.381 3.574 2.110 -0.791 C13 BCL 59 BCL C14 C14 C 0 1 N N N N N N 37.582 47.952 35.048 2.418 2.758 -1.590 C14 BCL 60 BCL C15 C15 C 0 1 N N N N N N 35.746 49.588 34.636 3.668 2.692 0.657 C15 BCL 61 BCL C16 C16 C 0 1 N N N N N N 35.513 50.923 33.995 3.062 1.798 1.759 C16 BCL 62 BCL C17 C17 C 0 1 N N N N N N 34.173 51.431 34.475 2.737 2.473 3.106 C17 BCL 63 BCL C18 C18 C 0 1 N N N N N N 34.070 52.954 34.420 1.311 3.073 3.259 C18 BCL 64 BCL C19 C19 C 0 1 N N N N N N 33.035 53.320 35.451 0.444 2.293 4.268 C19 BCL 65 BCL C20 C20 C 0 1 N N N N N N 33.515 53.424 33.060 1.322 4.580 3.585 C20 BCL 66 BCL HHB HHB H 0 1 N N N N N N 42.856 51.395 19.966 -4.523 -1.607 3.379 HHB BCL 67 BCL HHC HHC H 0 1 N N N N N N 46.006 46.761 23.020 -4.156 4.476 1.939 HHC BCL 68 BCL HHD HHD H 0 1 N N N N N N 40.513 44.274 24.937 -0.929 3.114 -3.186 HHD BCL 69 BCL H2A H2A H 0 1 N N N N N N 38.071 51.065 20.562 -2.544 -4.462 0.122 H2A BCL 70 BCL H3A H3A H 0 1 N N N N N N 40.550 52.444 20.228 -3.308 -3.713 2.628 H3A BCL 71 BCL HMA1 HMA1 H 0 0 N N N N N N 40.736 51.075 18.125 -5.516 -3.803 1.952 HMA1 BCL 72 BCL HMA2 HMA2 H 0 0 N N N N N N 39.716 49.784 18.847 -4.736 -5.000 1.258 HMA2 BCL 73 BCL HMA3 HMA3 H 0 0 N N N N N N 38.988 51.369 18.418 -5.103 -3.696 0.422 HMA3 BCL 74 BCL HAA1 HAA1 H 0 0 N N N N N N 38.458 53.002 21.946 -0.870 -3.413 2.178 HAA1 BCL 75 BCL HAA2 HAA2 H 0 0 N N N N N N 38.068 51.607 23.008 -0.252 -3.697 0.747 HAA2 BCL 76 BCL HBA1 HBA1 H 0 0 N N N N N N 40.394 51.357 23.610 -1.494 -5.973 1.647 HBA1 BCL 77 BCL HBA2 HBA2 H 0 0 N N N N N N 40.869 52.643 22.449 -0.481 -5.456 2.745 HBA2 BCL 78 BCL HMB1 HMB1 H 0 0 N N N N N N 46.510 51.247 20.282 -6.179 0.948 5.497 HMB1 BCL 79 BCL HMB2 HMB2 H 0 0 N N N N N N 45.142 51.036 19.138 -5.328 -0.360 5.261 HMB2 BCL 80 BCL HMB3 HMB3 H 0 0 N N N N N N 44.968 52.128 20.553 -6.680 -0.141 4.467 HMB3 BCL 81 BCL HBB1 HBB1 H 0 0 N N N N N N 49.073 49.755 21.344 -4.996 3.061 5.945 HBB1 BCL 82 BCL HBB2 HBB2 H 0 0 N N N N N N 47.849 49.882 20.035 -6.474 3.612 5.991 HBB2 BCL 83 BCL HBB3 HBB3 H 0 0 N N N N N N 47.852 51.072 21.381 -5.267 4.608 5.783 HBB3 BCL 84 BCL H2C H2C H 0 1 N N N N N N 44.879 45.367 25.277 -2.815 5.829 0.277 H2C BCL 85 BCL H3C H3C H 0 1 N N N N N N 43.096 43.336 23.945 -2.093 5.220 -2.257 H3C BCL 86 BCL HMC1 HMC1 H 0 0 N N N N N N 45.590 43.258 24.177 -4.197 6.462 -1.492 HMC1 BCL 87 BCL HMC2 HMC2 H 0 0 N N N N N N 44.727 43.726 22.673 -5.030 5.744 -0.346 HMC2 BCL 88 BCL HMC3 HMC3 H 0 0 N N N N N N 46.182 44.641 23.194 -4.670 4.954 -1.677 HMC3 BCL 89 BCL HAC1 HAC1 H 0 0 N N N N N N 42.401 43.268 26.293 0.042 4.633 -0.545 HAC1 BCL 90 BCL HAC2 HAC2 H 0 0 N N N N N N 44.164 43.608 26.334 -0.574 6.047 -0.225 HAC2 BCL 91 BCL HBC1 HBC1 H 0 0 N N N N N N 42.944 44.995 27.976 1.220 6.284 -1.702 HBC1 BCL 92 BCL HBC2 HBC2 H 0 0 N N N N N N 43.692 46.015 26.700 -0.113 6.764 -2.423 HBC2 BCL 93 BCL HBC3 HBC3 H 0 0 N N N N N N 41.928 45.676 26.660 0.505 5.336 -2.760 HBC3 BCL 94 BCL HMD1 HMD1 H 0 0 N N N N N N 36.729 45.121 25.174 0.659 0.124 -5.144 HMD1 BCL 95 BCL HMD2 HMD2 H 0 0 N N N N N N 37.937 43.956 24.532 0.429 1.646 -4.758 HMD2 BCL 96 BCL HMD3 HMD3 H 0 0 N N N N N N 38.222 44.768 26.108 -0.681 0.857 -5.572 HMD3 BCL 97 BCL HBD HBD H 0 1 N N N N N N 36.934 50.058 23.362 -0.560 -3.848 -1.907 HBD BCL 98 BCL HED1 HED1 H 0 0 N N N N N N 35.349 50.704 18.911 -4.222 -4.582 -4.704 HED1 BCL 99 BCL HED2 HED2 H 0 0 N N N N N N 36.574 49.392 18.975 -5.129 -3.343 -4.306 HED2 BCL 100 BCL HED3 HED3 H 0 0 N N N N N N 34.849 49.028 19.319 -4.931 -4.540 -3.285 HED3 BCL 101 BCL H11 H11 H 0 1 N N N N N N 41.213 55.190 26.185 2.900 -7.016 0.722 H11 BCL 102 BCL H12 H12 H 0 1 N N N N N N 39.455 54.833 26.108 3.624 -5.975 1.687 H12 BCL 103 BCL H2 H2 H 0 1 N N N N N N 39.674 53.126 27.877 3.264 -5.683 -1.011 H2 BCL 104 BCL H41 H41 H 0 1 N N N N N N 43.689 54.107 28.599 3.559 -3.428 1.770 H41 BCL 105 BCL H42 H42 H 0 1 N N N N N N 43.249 53.807 26.884 3.092 -2.246 0.839 H42 BCL 106 BCL H43 H43 H 0 1 N N N N N N 42.753 55.337 27.684 4.628 -2.596 0.967 H43 BCL 107 BCL H51 H51 H 0 1 N N N N N N 42.775 52.705 29.887 3.736 -2.325 -1.537 H51 BCL 108 BCL H52 H52 H 0 1 N N N N N N 41.225 53.453 30.400 3.255 -3.647 -2.238 H52 BCL 109 BCL H61 H61 H 0 1 N N N N N N 40.073 51.589 28.935 5.246 -3.558 -3.121 H61 BCL 110 BCL H62 H62 H 0 1 N N N N N N 41.669 50.765 28.979 5.598 -4.415 -1.848 H62 BCL 111 BCL H71 H71 H 0 1 N N N N N N 41.560 51.396 31.569 7.238 -3.009 -1.607 H71 BCL 112 BCL H72 H72 H 0 1 N N N N N N 39.793 51.482 31.259 6.160 -2.135 -0.859 H72 BCL 113 BCL H8 H8 H 0 1 N N N N N N 41.194 49.217 31.979 5.936 -1.395 -3.424 H8 BCL 114 BCL H91 H91 H 0 1 N N N N N N 41.037 47.688 30.046 8.092 -0.816 -4.165 H91 BCL 115 BCL H92 H92 H 0 1 N N N N N N 40.542 49.049 28.983 7.991 -2.384 -3.956 H92 BCL 116 BCL H93 H93 H 0 1 N N N N N N 42.196 49.011 29.681 8.732 -1.486 -2.878 H93 BCL 117 BCL H101 H101 H 0 0 N N N N N N 38.600 50.179 30.966 7.246 0.665 -2.503 H101 BCL 118 BCL H102 H102 H 0 0 N N N N N N 38.861 48.429 30.657 6.659 0.055 -1.170 H102 BCL 119 BCL H111 H111 H 0 0 N N N N N N 39.325 47.994 32.956 4.461 0.161 -2.272 H111 BCL 120 BCL H112 H112 H 0 0 N N N N N N 39.508 49.742 33.326 5.163 1.038 -3.377 H112 BCL 121 BCL H121 H121 H 0 0 N N N N N N 37.104 50.010 32.341 4.905 2.849 -2.239 H121 BCL 122 BCL H122 H122 H 0 0 N N N N N N 36.980 48.224 32.497 5.661 2.238 -0.997 H122 BCL 123 BCL H13 H13 H 0 1 N N N N N N 37.830 50.084 34.788 3.327 1.156 -0.662 H13 BCL 124 BCL H141 H141 H 0 0 N N N N N N 37.399 48.020 36.130 1.591 2.699 -1.081 H141 BCL 125 BCL H142 H142 H 0 0 N N N N N N 36.973 47.140 34.623 2.304 2.294 -2.438 H142 BCL 126 BCL H143 H143 H 0 0 N N N N N N 38.647 47.743 34.869 2.623 3.693 -1.761 H143 BCL 127 BCL H151 H151 H 0 0 N N N N N N 35.102 48.822 34.179 3.218 3.565 0.683 H151 BCL 128 BCL H152 H152 H 0 0 N N N N N N 35.545 49.638 35.716 4.611 2.847 0.883 H152 BCL 129 BCL H161 H161 H 0 0 N N N N N N 36.308 51.624 34.289 3.694 1.067 1.934 H161 BCL 130 BCL H162 H162 H 0 0 N N N N N N 35.504 50.817 32.900 2.242 1.381 1.412 H162 BCL 131 BCL H171 H171 H 0 0 N N N N N N 33.385 51.001 33.840 3.398 3.184 3.258 H171 BCL 132 BCL H172 H172 H 0 0 N N N N N N 34.024 51.105 35.515 2.875 1.805 3.813 H172 BCL 133 BCL H18 H18 H 0 1 N N N N N N 35.040 53.427 34.635 0.855 2.989 2.381 H18 BCL 134 BCL H191 H191 H 0 0 N N N N N N 32.905 54.412 35.469 -0.450 2.676 4.300 H191 BCL 135 BCL H192 H192 H 0 0 N N N N N N 32.078 52.841 35.196 0.847 2.341 5.153 H192 BCL 136 BCL H193 H193 H 0 0 N N N N N N 33.366 52.973 36.441 0.383 1.362 3.993 H193 BCL 137 BCL H201 H201 H 0 0 N N N N N N 33.452 54.522 33.049 1.799 5.059 2.886 H201 BCL 138 BCL H202 H202 H 0 0 N N N N N N 34.184 53.087 32.255 1.767 4.728 4.437 H202 BCL 139 BCL H203 H203 H 0 0 N N N N N N 32.513 52.998 32.906 0.410 4.913 3.634 H203 BCL 140 # 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 _chem_comp_bond.pdbx_metal_coordination_flag _chem_comp_bond.pdbx_metal_pi_flag BCL MG NA SING N N 1 Y N BCL MG NB SING N N 2 Y N BCL MG NC SING N N 3 Y N BCL MG ND SING N N 4 Y N BCL CHA C1A SING N N 5 N N BCL CHA C4D DOUB N N 6 N N BCL CHA CBD SING N N 7 N N BCL CHB C4A DOUB N N 8 N N BCL CHB C1B SING N N 9 N N BCL CHB HHB SING N N 10 N N BCL CHC C4B SING N N 11 N N BCL CHC C1C DOUB N N 12 N N BCL CHC HHC SING N N 13 N N BCL CHD C4C SING N N 14 N N BCL CHD C1D DOUB N N 15 N N BCL CHD HHD SING N N 16 N N BCL NA C1A DOUB N N 17 N N BCL NA C4A SING N N 18 N N BCL C1A C2A SING N N 19 N N BCL C2A C3A SING N N 20 N N BCL C2A CAA SING N N 21 N N BCL C2A H2A SING N N 22 N N BCL C3A C4A SING N N 23 N N BCL C3A CMA SING N N 24 N N BCL C3A H3A SING N N 25 N N BCL CMA HMA1 SING N N 26 N N BCL CMA HMA2 SING N N 27 N N BCL CMA HMA3 SING N N 28 N N BCL CAA CBA SING N N 29 N N BCL CAA HAA1 SING N N 30 N N BCL CAA HAA2 SING N N 31 N N BCL CBA CGA SING N N 32 N N BCL CBA HBA1 SING N N 33 N N BCL CBA HBA2 SING N N 34 N N BCL CGA O1A DOUB N N 35 N N BCL CGA O2A SING N N 36 N N BCL O2A C1 SING N N 37 N N BCL NB C1B SING Y N 38 N N BCL NB C4B SING Y N 39 N N BCL C1B C2B DOUB Y N 40 N N BCL C2B C3B SING Y N 41 N N BCL C2B CMB SING N N 42 N N BCL C3B C4B DOUB Y N 43 N N BCL C3B CAB SING N N 44 N N BCL CMB HMB1 SING N N 45 N N BCL CMB HMB2 SING N N 46 N N BCL CMB HMB3 SING N N 47 N N BCL CAB OBB DOUB N N 48 N N BCL CAB CBB SING N N 49 N N BCL CBB HBB1 SING N N 50 N N BCL CBB HBB2 SING N N 51 N N BCL CBB HBB3 SING N N 52 N N BCL NC C1C SING N N 53 N N BCL NC C4C DOUB N N 54 N N BCL C1C C2C SING N N 55 N N BCL C2C C3C SING N N 56 N N BCL C2C CMC SING N N 57 N N BCL C2C H2C SING N N 58 N N BCL C3C C4C SING N N 59 N N BCL C3C CAC SING N N 60 N N BCL C3C H3C SING N N 61 N N BCL CMC HMC1 SING N N 62 N N BCL CMC HMC2 SING N N 63 N N BCL CMC HMC3 SING N N 64 N N BCL CAC CBC SING N N 65 N N BCL CAC HAC1 SING N N 66 N N BCL CAC HAC2 SING N N 67 N N BCL CBC HBC1 SING N N 68 N N BCL CBC HBC2 SING N N 69 N N BCL CBC HBC3 SING N N 70 N N BCL ND C1D SING N N 71 N N BCL ND C4D SING N N 72 N N BCL C1D C2D SING N N 73 N N BCL C2D C3D DOUB N N 74 N N BCL C2D CMD SING N N 75 N N BCL C3D C4D SING N N 76 N N BCL C3D CAD SING N N 77 N N BCL CMD HMD1 SING N N 78 N N BCL CMD HMD2 SING N N 79 N N BCL CMD HMD3 SING N N 80 N N BCL CAD OBD DOUB N N 81 N N BCL CAD CBD SING N N 82 N N BCL CBD CGD SING N N 83 N N BCL CBD HBD SING N N 84 N N BCL CGD O1D DOUB N N 85 N N BCL CGD O2D SING N N 86 N N BCL O2D CED SING N N 87 N N BCL CED HED1 SING N N 88 N N BCL CED HED2 SING N N 89 N N BCL CED HED3 SING N N 90 N N BCL C1 C2 SING N N 91 N N BCL C1 H11 SING N N 92 N N BCL C1 H12 SING N N 93 N N BCL C2 C3 DOUB N E 94 N N BCL C2 H2 SING N N 95 N N BCL C3 C4 SING N N 96 N N BCL C3 C5 SING N N 97 N N BCL C4 H41 SING N N 98 N N BCL C4 H42 SING N N 99 N N BCL C4 H43 SING N N 100 N N BCL C5 C6 SING N N 101 N N BCL C5 H51 SING N N 102 N N BCL C5 H52 SING N N 103 N N BCL C6 C7 SING N N 104 N N BCL C6 H61 SING N N 105 N N BCL C6 H62 SING N N 106 N N BCL C7 C8 SING N N 107 N N BCL C7 H71 SING N N 108 N N BCL C7 H72 SING N N 109 N N BCL C8 C9 SING N N 110 N N BCL C8 C10 SING N N 111 N N BCL C8 H8 SING N N 112 N N BCL C9 H91 SING N N 113 N N BCL C9 H92 SING N N 114 N N BCL C9 H93 SING N N 115 N N BCL C10 C11 SING N N 116 N N BCL C10 H101 SING N N 117 N N BCL C10 H102 SING N N 118 N N BCL C11 C12 SING N N 119 N N BCL C11 H111 SING N N 120 N N BCL C11 H112 SING N N 121 N N BCL C12 C13 SING N N 122 N N BCL C12 H121 SING N N 123 N N BCL C12 H122 SING N N 124 N N BCL C13 C14 SING N N 125 N N BCL C13 C15 SING N N 126 N N BCL C13 H13 SING N N 127 N N BCL C14 H141 SING N N 128 N N BCL C14 H142 SING N N 129 N N BCL C14 H143 SING N N 130 N N BCL C15 C16 SING N N 131 N N BCL C15 H151 SING N N 132 N N BCL C15 H152 SING N N 133 N N BCL C16 C17 SING N N 134 N N BCL C16 H161 SING N N 135 N N BCL C16 H162 SING N N 136 N N BCL C17 C18 SING N N 137 N N BCL C17 H171 SING N N 138 N N BCL C17 H172 SING N N 139 N N BCL C18 C19 SING N N 140 N N BCL C18 C20 SING N N 141 N N BCL C18 H18 SING N N 142 N N BCL C19 H191 SING N N 143 N N BCL C19 H192 SING N N 144 N N BCL C19 H193 SING N N 145 N N BCL C20 H201 SING N N 146 N N BCL C20 H202 SING N N 147 N N BCL C20 H203 SING N N 148 N N # 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 BCL InChI InChI 1.06 "InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1" BCL InChIKey InChI 1.06 DSJXIQQMORJERS-AGGZHOMASA-M BCL SMILES_CANONICAL CACTVS 3.385 "[Mg++].CC[C@@H]1[C@@H](C)C2=Cc3[n-]c(C=C4N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[C@@H]5C(=O)OC)C)c(C)c3C(C)=O" BCL SMILES CACTVS 3.385 "[Mg++].CC[CH]1[CH](C)C2=Cc3[n-]c(C=C4N=C([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)C5=C6[N-]C(=CC1=N2)C(=C6C(=O)[CH]5C(=O)OC)C)c(C)c3C(C)=O" BCL SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C" BCL SMILES "OpenEye OEToolkits" 2.0.7 "CCC1C(C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C" # loop_ _pdbx_chem_comp_atom_coordination.geometry_id _pdbx_chem_comp_atom_coordination.comp_id _pdbx_chem_comp_atom_coordination.atom_id _pdbx_chem_comp_atom_coordination.number _pdbx_chem_comp_atom_coordination.geometry_calculated _pdbx_chem_comp_atom_coordination.geometry_generic _pdbx_chem_comp_atom_coordination.geometry_abbr _pdbx_chem_comp_atom_coordination.provenance _pdbx_chem_comp_atom_coordination.representative_entry_id 1 BCL MG 5 "square pyramid" "square pyramidal" SPY FindGeo 3EOJ 1 BCL MG 5 square-pyramid "square pyramidal" SQP MetalCoord 3EOJ # loop_ _pdbx_chem_comp_atom_coordination_sphere.id _pdbx_chem_comp_atom_coordination_sphere.geometry_id _pdbx_chem_comp_atom_coordination_sphere.comp_id _pdbx_chem_comp_atom_coordination_sphere.atom_id _pdbx_chem_comp_atom_coordination_sphere.descriptor _pdbx_chem_comp_atom_coordination_sphere.provenance _pdbx_chem_comp_atom_coordination_sphere.representative_entry_id 1 1 BCL MG "@SQP{Mg,N,N,N,N,N}" MetalCoord 3EOJ 2 1 BCL MG "@SQP{Mg,N,N,N,N,O}" MetalCoord 3EOJ 3 1 BCL MG "@SQP{Mg,N,N,N,N,C}" MetalCoord 2J8D # loop_ _pdbx_chem_comp_pcm.pcm_id _pdbx_chem_comp_pcm.comp_id _pdbx_chem_comp_pcm.modified_residue_id _pdbx_chem_comp_pcm.type _pdbx_chem_comp_pcm.category _pdbx_chem_comp_pcm.polypeptide_position _pdbx_chem_comp_pcm.comp_id_linking_atom _pdbx_chem_comp_pcm.modified_residue_id_linking_atom _pdbx_chem_comp_pcm.uniprot_specific_ptm_accession _pdbx_chem_comp_pcm.uniprot_generic_ptm_accession _pdbx_chem_comp_pcm.position 1 BCL ASN None "Metal coordination" "Any position" MG OD1 ? ? "Amino-acid side chain" 2 BCL ASN None "Metal coordination" "Any position" MG ND2 ? ? "Amino-acid side chain" 3 BCL ASP None "Metal coordination" "Any position" MG OD2 ? ? "Amino-acid side chain" 4 BCL ASP None "Metal coordination" "Any position" MG OD1 ? ? "Amino-acid side chain" 5 BCL GLU None "Metal coordination" "Any position" MG OE1 ? ? "Amino-acid side chain" 6 BCL GLU None "Metal coordination" "Any position" MG OE2 ? ? "Amino-acid side chain" 7 BCL HIS None "Metal coordination" "Any position" MG NE2 ? ? "Amino-acid side chain" 8 BCL HIS None "Metal coordination" "Any position" MG ND1 ? ? "Amino-acid side chain" 9 BCL LEU None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 10 BCL MET None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 11 BCL SER None "Metal coordination" "Any position" MG OG ? ? "Amino-acid side chain" 12 BCL SER None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 13 BCL TYR None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site BCL "Create component" 1999-07-08 RCSB BCL "Modify descriptor" 2023-09-23 RCSB BCL "Other modification" 2026-07-17 RCSB BCL "Other modification" 2026-07-31 RCSB #