data_CL7 # _chem_comp.id CL7 _chem_comp.name "CHLOROPHYLL D" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C54 H70 Mg N4 O6" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge -2 _chem_comp.pdbx_initial_date 2010-01-09 _chem_comp.pdbx_modified_date 2026-09-16 _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 895.462 _chem_comp.one_letter_code ? _chem_comp.three_letter_code CL7 _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 2X1Z _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI _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 CL7 O1A O1A O 0 1 N N N N N N -28.277 -10.352 7.509 -0.610 -1.536 -1.745 O1A CL7 1 CL7 CGA CGA C 0 1 N N N N N N -28.993 -10.298 6.512 -0.923 -1.558 -0.576 CGA CL7 2 CL7 O2A O2A O 0 1 N N N N N N -29.724 -11.468 6.117 -0.321 -0.816 0.383 O2A CL7 3 CL7 C1 C1 C 0 1 N N N N N N -29.315 -12.664 6.830 0.794 0.086 0.146 C1 CL7 4 CL7 C2 C2 C 0 1 N N N N N N -28.044 -13.176 6.172 2.084 -0.668 0.034 C2 CL7 5 CL7 C3 C3 C 0 1 N N N N N N -27.937 -14.113 5.195 2.721 -1.414 0.951 C3 CL7 6 CL7 C5 C5 C 0 1 N N N N N N -26.576 -14.410 4.597 4.063 -2.034 0.593 C5 CL7 7 CL7 C6 C6 C 0 1 N N N N N N -26.058 -15.841 4.954 5.288 -1.184 0.955 C6 CL7 8 CL7 C7 C7 C 0 1 N N N N N N -25.638 -15.795 6.443 5.704 -0.099 -0.052 C7 CL7 9 CL7 C8 C8 C 0 1 N N R N N N -25.178 -17.101 7.124 6.766 0.920 0.476 C8 CL7 10 CL7 C10 C10 C 0 1 N N N N N N -26.195 -18.206 6.828 8.058 1.031 -0.390 C10 CL7 11 CL7 C11 C11 C 0 1 N N N N N N -27.605 -18.061 7.402 9.121 -0.050 -0.114 C11 CL7 12 CL7 C12 C12 C 0 1 N N N N N N -27.711 -18.033 8.949 10.296 -0.174 -1.110 C12 CL7 13 CL7 C13 C13 C 0 1 N N R N N N -29.087 -17.608 9.511 11.617 0.570 -0.721 C13 CL7 14 CL7 C15 C15 C 0 1 N N N N N N -29.613 -16.192 9.174 12.942 -0.198 -1.041 C15 CL7 15 CL7 C16 C16 C 0 1 N N N N N N -28.659 -15.042 9.558 14.019 -0.110 0.058 C16 CL7 16 CL7 C17 C17 C 0 1 N N N N N N -28.328 -15.021 11.045 15.443 -0.591 -0.293 C17 CL7 17 CL7 C18 C18 C 0 1 N N N N N N -27.392 -13.871 11.429 16.615 0.245 0.286 C18 CL7 18 CL7 C19 C19 C 0 1 N N N N N N -27.498 -13.518 12.900 17.839 -0.611 0.665 C19 CL7 19 CL7 C20 C20 C 0 1 N N N N N N -25.941 -14.256 11.154 17.022 1.417 -0.635 C20 CL7 20 CL7 C14 C14 C 0 1 N N N N N N -30.132 -18.601 9.024 11.648 2.018 -1.272 C14 CL7 21 CL7 C9 C9 C 0 1 N N N N N N -23.825 -17.422 6.492 6.139 2.303 0.760 C9 CL7 22 CL7 C4 C4 C 0 1 N N N N N N -29.140 -14.831 4.647 2.240 -1.736 2.351 C4 CL7 23 CL7 CBA CBA C 0 1 N N N N N N -29.147 -9.105 5.591 -2.012 -2.415 0.002 CBA CL7 24 CL7 CAA CAA C 0 1 N N N N N N -27.722 -8.711 5.124 -3.426 -1.874 -0.226 CAA CL7 25 CL7 C2A C2A C 0 1 N N S N N N -27.059 -9.799 4.249 -3.904 -0.774 0.748 C2A CL7 26 CL7 C1A C1A C 0 1 N N N N N N -25.683 -9.340 3.716 -5.418 -0.783 0.856 C1A CL7 27 CL7 CHA CHA C 0 1 N N N N N N -24.542 -9.163 4.616 -6.200 -1.658 1.598 CHA CL7 28 CL7 CBD CBD C 0 1 N N R N N N -24.496 -9.238 6.083 -5.779 -2.687 2.639 CBD CL7 29 CL7 CGD CGD C 0 1 N N N N N N -24.932 -10.492 6.740 -5.156 -2.062 3.877 CGD CL7 30 CL7 O2D O2D O 0 1 N N N N N N -25.139 -10.423 8.149 -5.948 -1.117 4.418 O2D CL7 31 CL7 CED CED C 0 1 N N N N N N -25.294 -11.716 8.761 -5.477 -0.413 5.597 CED CL7 32 CL7 O1D O1D O 0 1 N N N N N N -25.164 -11.511 6.122 -4.079 -2.384 4.305 O1D CL7 33 CL7 C3A C3A C 0 1 N N S N N N -27.749 -10.061 2.881 -3.658 0.701 0.298 C3A CL7 34 CL7 CMA CMA C 0 1 N N N N N N -28.105 -11.562 2.701 -3.223 1.630 1.439 CMA CL7 35 CL7 C4A C4A C 0 1 N N N N N N -26.798 -9.491 1.858 -5.021 1.059 -0.287 C4A CL7 36 CL7 NA NA N -1 1 N N S N N N -25.628 -9.072 2.388 -6.008 0.240 0.136 NA CL7 37 CL7 CHB CHB C 0 1 N N N N N N -27.222 -9.466 0.540 -5.196 2.154 -1.146 CHB CL7 38 CL7 C1B C1B C 0 1 Y N N N N N -26.400 -8.930 -0.585 -6.383 2.622 -1.831 C1B CL7 39 CL7 NB NB N -1 1 Y N N N N N -25.161 -8.420 -0.376 -7.594 2.021 -1.694 NB CL7 40 CL7 MG MG MG 2 0 N N N N N N -24.005 -8.497 1.295 -8.108 0.594 -0.248 MG CL7 41 CL7 ND ND N -1 1 Y N N N N N -22.968 -8.044 2.969 -8.577 -1.187 0.695 ND CL7 42 CL7 C4D C4D C 0 1 Y N N N N N -23.411 -8.461 4.199 -7.625 -1.805 1.459 C4D CL7 43 CL7 C2B C2B C 0 1 Y N N N N N -26.827 -8.897 -1.904 -6.498 3.703 -2.701 C2B CL7 44 CL7 CMB CMB C 0 1 N N N N N N -28.171 -9.309 -2.508 -5.401 4.644 -3.120 CMB CL7 45 CL7 C3B C3B C 0 1 Y N N N N N -25.727 -8.394 -2.610 -7.859 3.769 -3.126 C3B CL7 46 CL7 CAB CAB C 0 1 N N N N N N -25.702 -8.166 -4.089 -8.385 4.771 -4.039 CAB CL7 47 CL7 OBB OBB O 0 1 N N N N N N -24.679 -7.948 -4.753 -9.527 4.852 -4.440 OBB CL7 48 CL7 C4B C4B C 0 1 Y N N N N N -24.765 -8.118 -1.646 -8.504 2.709 -2.489 C4B CL7 49 CL7 CHC CHC C 0 1 N N N N N N -23.465 -7.537 -1.981 -9.871 2.335 -2.575 CHC CL7 50 CL7 C1C C1C C 0 1 N N N N N N -22.435 -7.096 -1.009 -10.619 1.319 -1.944 C1C CL7 51 CL7 NC NC N -1 1 N N R N N N -22.540 -7.410 0.302 -10.106 0.485 -0.999 NC CL7 52 CL7 C2C C2C C 0 1 N N N N N N -21.256 -6.424 -1.408 -11.938 0.991 -2.166 C2C CL7 53 CL7 CMC CMC C 0 1 N N N N N N -20.902 -5.904 -2.783 -12.884 1.655 -3.136 CMC CL7 54 CL7 C3C C3C C 0 1 N N N N N N -20.555 -6.260 -0.215 -12.253 -0.049 -1.333 C3C CL7 55 CL7 CAC CAC C 0 1 N N N N N N -19.269 -5.510 0.088 -13.587 -0.744 -1.225 CAC CL7 56 CL7 CBC CBC C 0 1 N N N N N N -18.093 -6.377 -0.277 -13.689 -1.963 -2.133 CBC CL7 57 CL7 C4C C4C C 0 1 N N N N N N -21.403 -6.838 0.747 -11.117 -0.353 -0.608 C4C CL7 58 CL7 CHD CHD C 0 1 N N N N N N -20.959 -6.905 2.165 -10.964 -1.370 0.362 CHD CL7 59 CL7 C1D C1D C 0 1 Y N N N N N -21.730 -7.532 3.235 -9.788 -1.783 0.990 C1D CL7 60 CL7 C2D C2D C 0 1 Y N N N N N -21.388 -7.569 4.620 -9.579 -2.793 1.961 C2D CL7 61 CL7 CMD CMD C 0 1 N N N N N N -20.133 -7.175 5.368 -10.578 -3.705 2.595 CMD CL7 62 CL7 C3D C3D C 0 1 Y N N N N N -22.460 -8.270 5.164 -8.189 -2.792 2.245 C3D CL7 63 CL7 CAD CAD C 0 1 N N N N N N -23.112 -8.792 6.392 -7.124 -3.417 3.037 CAD CL7 64 CL7 OBD OBD O 0 1 N N N N N N -22.576 -8.908 7.537 -7.172 -4.321 3.859 OBD CL7 65 CL7 HBA1 HBA1 H 0 0 N N N N N N -29.774 -9.368 4.726 -1.858 -2.524 0.967 HBA1 CL7 66 CL7 HBA2 HBA2 H 0 0 N N N N N N -29.636 -8.268 6.111 -1.952 -3.307 -0.402 HBA2 CL7 67 CL7 H11C H11C H 0 0 N N N N N N -29.125 -12.428 7.888 0.853 0.726 0.888 H11C CL7 68 CL7 H12C H12C H 0 0 N N N N N N -30.106 -13.428 6.789 0.634 0.588 -0.682 H12C CL7 69 CL7 H2 H2 H 0 1 N N N N N N -27.118 -12.744 6.522 2.493 -0.593 -0.814 H2 CL7 70 CL7 H51C H51C H 0 0 N N N N N N -26.653 -14.332 3.503 4.085 -2.217 -0.368 H51C CL7 71 CL7 H52C H52C H 0 0 N N N N N N -25.863 -13.684 5.014 4.148 -2.895 1.048 H52C CL7 72 CL7 H41C H41C H 0 0 N N N N N N -29.863 -15.006 5.457 1.375 -1.337 2.515 H41C CL7 73 CL7 H42C H42C H 0 0 N N N N N N -29.608 -14.217 3.864 2.873 -1.391 3.000 H42C CL7 74 CL7 H43C H43C H 0 0 N N N N N N -28.828 -15.795 4.220 2.166 -2.697 2.459 H43C CL7 75 CL7 H61C H61C H 0 0 N N N N N N -26.851 -16.587 4.800 6.046 -1.795 1.080 H61C CL7 76 CL7 H62C H62C H 0 0 N N N N N N -25.213 -16.129 4.312 5.113 -0.758 1.823 H62C CL7 77 CL7 H71C H71C H 0 0 N N N N N N -24.793 -15.094 6.508 4.898 0.390 -0.331 H71C CL7 78 CL7 H72C H72C H 0 0 N N N N N N -26.559 -15.518 6.978 6.060 -0.548 -0.850 H72C CL7 79 CL7 H8 H8 H 0 1 N N N N N N -25.098 -17.012 8.217 7.076 0.568 1.354 H8 CL7 80 CL7 H101 H101 H 0 0 N N N N N N -26.303 -18.251 5.734 8.473 1.909 -0.239 H101 CL7 81 CL7 H102 H102 H 0 0 N N N N N N -25.785 -19.101 7.319 7.807 0.987 -1.339 H102 CL7 82 CL7 H91C H91C H 0 0 N N N N N N -23.939 -17.499 5.401 6.808 2.896 1.146 H91C CL7 83 CL7 H92C H92C H 0 0 N N N N N N -23.110 -16.621 6.730 5.401 2.207 1.386 H92C CL7 84 CL7 H93C H93C H 0 0 N N N N N N -23.452 -18.377 6.890 5.809 2.689 -0.068 H93C CL7 85 CL7 H111 H111 H 0 0 N N N N N N -28.015 -17.111 7.028 8.669 -0.922 -0.083 H111 CL7 86 CL7 H112 H112 H 0 0 N N N N N N -28.154 -18.958 7.080 9.480 0.103 0.788 H112 CL7 87 CL7 H121 H121 H 0 0 N N N N N N -27.503 -19.050 9.314 9.996 0.147 -1.988 H121 CL7 88 CL7 H122 H122 H 0 0 N N N N N N -26.992 -17.275 9.292 10.491 -1.131 -1.210 H122 CL7 89 CL7 H13 H13 H 0 1 N N N N N N -28.922 -17.593 10.598 11.602 0.645 0.270 H13 CL7 90 CL7 H151 H151 H 0 0 N N N N N N -29.776 -16.144 8.087 13.322 0.150 -1.878 H151 CL7 91 CL7 H152 H152 H 0 0 N N N N N N -30.530 -16.049 9.764 12.739 -1.147 -1.187 H152 CL7 92 CL7 H141 H141 H 0 0 N N N N N N -30.822 -18.841 9.846 12.459 2.467 -0.977 H141 CL7 93 CL7 H142 H142 H 0 0 N N N N N N -30.696 -18.160 8.189 10.875 2.510 -0.947 H142 CL7 94 CL7 H143 H143 H 0 0 N N N N N N -29.633 -19.521 8.684 11.630 1.998 -2.244 H143 CL7 95 CL7 H161 H161 H 0 0 N N N N N N -27.722 -15.167 8.996 13.707 -0.635 0.827 H161 CL7 96 CL7 H162 H162 H 0 0 N N N N N N -29.164 -14.095 9.316 14.071 0.824 0.360 H162 CL7 97 CL7 H171 H171 H 0 0 N N N N N N -29.266 -14.907 11.607 15.532 -0.620 -1.271 H171 CL7 98 CL7 H172 H172 H 0 0 N N N N N N -27.813 -15.963 11.285 15.529 -1.515 0.029 H172 CL7 99 CL7 H18 H18 H 0 1 N N N N N N -27.695 -13.005 10.823 16.296 0.654 1.133 H18 CL7 100 CL7 H191 H191 H 0 0 N N N N N N -27.524 -14.441 13.498 18.527 -0.046 1.058 H191 CL7 101 CL7 H192 H192 H 0 0 N N N N N N -26.628 -12.914 13.196 18.194 -1.047 -0.128 H192 CL7 102 CL7 H193 H193 H 0 0 N N N N N N -28.420 -12.943 13.073 17.574 -1.287 1.312 H193 CL7 103 CL7 H201 H201 H 0 0 N N N N N N -25.785 -14.349 10.069 16.250 1.985 -0.799 H201 CL7 104 CL7 H202 H202 H 0 0 N N N N N N -25.273 -13.479 11.555 17.352 1.070 -1.482 H202 CL7 105 CL7 H203 H203 H 0 0 N N N N N N -25.719 -15.218 11.640 17.720 1.944 -0.208 H203 CL7 106 CL7 HAA1 HAA1 H 0 0 N N N N N N -27.793 -7.786 4.533 -4.054 -2.632 -0.166 HAA1 CL7 107 CL7 HAA2 HAA2 H 0 0 N N N N N N -27.100 -8.580 6.022 -3.482 -1.526 -1.148 HAA2 CL7 108 CL7 H2A H2A H 0 1 N N N N N N -27.077 -10.661 4.932 -3.503 -0.950 1.640 H2A CL7 109 CL7 H3A H3A H 0 1 N N N N N N -28.730 -9.573 2.781 -2.953 0.770 -0.399 H3A CL7 110 CL7 HBD HBD H 0 1 N N N N N N -25.274 -8.601 6.529 -5.120 -3.316 2.237 HBD CL7 111 CL7 HED1 HED1 H 0 0 N N N N N N -25.334 -12.490 7.980 -5.330 -1.050 6.315 HED1 CL7 112 CL7 HED2 HED2 H 0 0 N N N N N N -24.441 -11.911 9.427 -6.143 0.237 5.872 HED2 CL7 113 CL7 HED3 HED3 H 0 0 N N N N N N -26.227 -11.736 9.344 -4.645 0.042 5.390 HED3 CL7 114 CL7 HMA1 HMA1 H 0 0 N N N N N N -28.189 -11.793 1.629 -3.087 2.532 1.094 HMA1 CL7 115 CL7 HMA2 HMA2 H 0 0 N N N N N N -27.315 -12.182 3.149 -2.388 1.309 1.829 HMA2 CL7 116 CL7 HMA3 HMA3 H 0 0 N N N N N N -29.063 -11.773 3.198 -3.912 1.654 2.129 HMA3 CL7 117 CL7 HHB HHB H 0 1 N N N N N N -28.203 -9.856 0.313 -4.426 2.677 -1.299 HHB CL7 118 CL7 HMB1 HMB1 H 0 0 N N N N N N -28.919 -9.408 -1.707 -5.521 4.900 -4.049 HMB1 CL7 119 CL7 HMB2 HMB2 H 0 0 N N N N N N -28.501 -8.543 -3.225 -4.537 4.213 -3.027 HMB2 CL7 120 CL7 HMB3 HMB3 H 0 0 N N N N N N -28.060 -10.273 -3.026 -5.424 5.439 -2.563 HMB3 CL7 121 CL7 HHC HHC H 0 1 N N N N N N -23.235 -7.419 -3.029 -10.370 2.884 -3.160 HHC CL7 122 CL7 HMC1 HMC1 H 0 0 N N N N N N -20.816 -4.808 -2.750 -13.522 1.009 -3.477 HMC1 CL7 123 CL7 HMC2 HMC2 H 0 0 N N N N N N -19.943 -6.337 -3.103 -12.389 2.023 -3.884 HMC2 CL7 124 CL7 HMC3 HMC3 H 0 0 N N N N N N -21.690 -6.189 -3.496 -13.361 2.370 -2.685 HMC3 CL7 125 CL7 HAC1 HAC1 H 0 0 N N N N N N -19.238 -4.580 -0.499 -14.310 -0.116 -1.453 HAC1 CL7 126 CL7 HAC2 HAC2 H 0 0 N N N N N N -19.228 -5.264 1.159 -13.732 -1.029 -0.294 HAC2 CL7 127 CL7 HBC1 HBC1 H 0 0 N N N N N N -18.114 -6.588 -1.356 -14.565 -2.378 -2.025 HBC1 CL7 128 CL7 HBC2 HBC2 H 0 0 N N N N N N -17.159 -5.854 -0.024 -12.995 -2.606 -1.895 HBC2 CL7 129 CL7 HBC3 HBC3 H 0 0 N N N N N N -18.147 -7.322 0.283 -13.572 -1.690 -3.061 HBC3 CL7 130 CL7 HHD HHD H 0 1 N N N N N N -20.007 -6.462 2.419 -11.745 -1.831 0.635 HHD CL7 131 CL7 HMD1 HMD1 H 0 0 N N N N N N -19.298 -7.079 4.659 -10.140 -4.529 2.865 HMD1 CL7 132 CL7 HMD2 HMD2 H 0 0 N N N N N N -20.295 -6.212 5.875 -11.284 -3.907 1.958 HMD2 CL7 133 CL7 HMD3 HMD3 H 0 0 N N N N N N -19.894 -7.947 6.114 -10.962 -3.272 3.377 HMD3 CL7 134 CL7 HAB HAB H 0 1 N N N N N N -26.644 -8.194 -4.616 -7.788 5.429 -4.348 HAB CL7 135 # 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 CL7 O1A CGA DOUB N N 1 N N CL7 CGA O2A SING N N 2 N N CL7 CGA CBA SING N N 3 N N CL7 O2A C1 SING N N 4 N N CL7 C1 C2 SING N N 5 N N CL7 C2 C3 DOUB N N 6 N N CL7 C3 C5 SING N N 7 N N CL7 C3 C4 SING N E 8 N N CL7 C5 C6 SING N N 9 N N CL7 C6 C7 SING N N 10 N N CL7 C7 C8 SING N N 11 N N CL7 C8 C10 SING N N 12 N N CL7 C8 C9 SING N N 13 N N CL7 C10 C11 SING N N 14 N N CL7 C11 C12 SING N N 15 N N CL7 C12 C13 SING N N 16 N N CL7 C13 C15 SING N N 17 N N CL7 C13 C14 SING N N 18 N N CL7 C15 C16 SING N N 19 N N CL7 C16 C17 SING N N 20 N N CL7 C17 C18 SING N N 21 N N CL7 C18 C19 SING N N 22 N N CL7 C18 C20 SING N N 23 N N CL7 CBA CAA SING N N 24 N N CL7 CAA C2A SING N N 25 N N CL7 C2A C1A SING N N 26 N N CL7 C2A C3A SING N N 27 N N CL7 C1A CHA DOUB N N 28 N N CL7 C1A NA SING N N 29 N N CL7 CHA CBD SING N N 30 N N CL7 CHA C4D SING N N 31 N N CL7 CBD CGD SING N N 32 N N CL7 CBD CAD SING N N 33 N N CL7 CGD O2D SING N N 34 N N CL7 CGD O1D DOUB N N 35 N N CL7 O2D CED SING N N 36 N N CL7 C3A CMA SING N N 37 N N CL7 C3A C4A SING N N 38 N N CL7 C4A NA SING N N 39 N N CL7 C4A CHB DOUB N N 40 N N CL7 NA MG SING N N 41 Y N CL7 CHB C1B SING N N 42 N N CL7 C1B NB SING Y N 43 N N CL7 C1B C2B DOUB Y N 44 N N CL7 NB MG SING N N 45 Y N CL7 NB C4B SING Y N 46 N N CL7 MG ND SING N N 47 Y N CL7 MG NC SING N N 48 Y N CL7 ND C4D SING Y N 49 N N CL7 ND C1D SING Y N 50 N N CL7 C4D C3D DOUB Y N 51 N N CL7 C2B CMB SING N N 52 N N CL7 C2B C3B SING Y N 53 N N CL7 C3B CAB SING N N 54 N N CL7 C3B C4B DOUB Y N 55 N N CL7 CAB OBB DOUB N N 56 N N CL7 C4B CHC SING N N 57 N N CL7 CHC C1C DOUB N N 58 N N CL7 C1C NC SING N N 59 N N CL7 C1C C2C SING N N 60 N N CL7 NC C4C SING N N 61 N N CL7 C2C CMC SING N N 62 N N CL7 C2C C3C DOUB N N 63 N N CL7 C3C CAC SING N N 64 N N CL7 C3C C4C SING N N 65 N N CL7 CAC CBC SING N N 66 N N CL7 C4C CHD DOUB N N 67 N N CL7 CHD C1D SING N N 68 N N CL7 C1D C2D DOUB Y N 69 N N CL7 C2D CMD SING N N 70 N N CL7 C2D C3D SING Y N 71 N N CL7 C3D CAD SING N N 72 N N CL7 CAD OBD DOUB N N 73 N N CL7 CAB HAB SING N N 74 N N CL7 CBA HBA1 SING N N 75 N N CL7 CBA HBA2 SING N N 76 N N CL7 C1 H11C SING N N 77 N N CL7 C1 H12C SING N N 78 N N CL7 C2 H2 SING N N 79 N N CL7 C5 H51C SING N N 80 N N CL7 C5 H52C SING N N 81 N N CL7 C4 H41C SING N N 82 N N CL7 C4 H42C SING N N 83 N N CL7 C4 H43C SING N N 84 N N CL7 C6 H61C SING N N 85 N N CL7 C6 H62C SING N N 86 N N CL7 C7 H71C SING N N 87 N N CL7 C7 H72C SING N N 88 N N CL7 C8 H8 SING N N 89 N N CL7 C10 H101 SING N N 90 N N CL7 C10 H102 SING N N 91 N N CL7 C9 H91C SING N N 92 N N CL7 C9 H92C SING N N 93 N N CL7 C9 H93C SING N N 94 N N CL7 C11 H111 SING N N 95 N N CL7 C11 H112 SING N N 96 N N CL7 C12 H121 SING N N 97 N N CL7 C12 H122 SING N N 98 N N CL7 C13 H13 SING N N 99 N N CL7 C15 H151 SING N N 100 N N CL7 C15 H152 SING N N 101 N N CL7 C14 H141 SING N N 102 N N CL7 C14 H142 SING N N 103 N N CL7 C14 H143 SING N N 104 N N CL7 C16 H161 SING N N 105 N N CL7 C16 H162 SING N N 106 N N CL7 C17 H171 SING N N 107 N N CL7 C17 H172 SING N N 108 N N CL7 C18 H18 SING N N 109 N N CL7 C19 H191 SING N N 110 N N CL7 C19 H192 SING N N 111 N N CL7 C19 H193 SING N N 112 N N CL7 C20 H201 SING N N 113 N N CL7 C20 H202 SING N N 114 N N CL7 C20 H203 SING N N 115 N N CL7 CAA HAA1 SING N N 116 N N CL7 CAA HAA2 SING N N 117 N N CL7 C2A H2A SING N N 118 N N CL7 C3A H3A SING N N 119 N N CL7 CBD HBD SING N N 120 N N CL7 CED HED1 SING N N 121 N N CL7 CED HED2 SING N N 122 N N CL7 CED HED3 SING N N 123 N N CL7 CMA HMA1 SING N N 124 N N CL7 CMA HMA2 SING N N 125 N N CL7 CMA HMA3 SING N N 126 N N CL7 CHB HHB SING N N 127 N N CL7 CMB HMB1 SING N N 128 N N CL7 CMB HMB2 SING N N 129 N N CL7 CMB HMB3 SING N N 130 N N CL7 CHC HHC SING N N 131 N N CL7 CMC HMC1 SING N N 132 N N CL7 CMC HMC2 SING N N 133 N N CL7 CMC HMC3 SING N N 134 N N CL7 CAC HAC1 SING N N 135 N N CL7 CAC HAC2 SING N N 136 N N CL7 CBC HBC1 SING N N 137 N N CL7 CBC HBC2 SING N N 138 N N CL7 CBC HBC3 SING N N 139 N N CL7 CHD HHD SING N N 140 N N CL7 CMD HMD1 SING N N 141 N N CL7 CMD HMD2 SING N N 142 N N CL7 CMD HMD3 SING N N 143 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 CL7 InChI InChI 1.03 "InChI=1S/C54H72N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3;/h24,26-32,35,39,50H,12-23,25H2,1-11H3,(H2-2,55,56,57,58,59,61);/q-2;+4/p-2/b33-24+,43-26-;/t31-,32-,35+,39+,50-;/m1./s1" CL7 InChIKey InChI 1.03 FBCRYORFRGRJBC-ACDPFEIMSA-L CL7 SMILES_CANONICAL CACTVS 3.385 "CCC1=C(C)C2=Cc3n4c(C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=C7[C@@H](C(=O)OC)C(=O)c8c(C)c9C=C1[N@@]2[Mg]4([N@@]56)n9c78)c(C)c3C=O" CL7 SMILES CACTVS 3.385 "CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=C7[CH](C(=O)OC)C(=O)c8c(C)c9C=C1[N]2[Mg]4([N]56)n9c78)c(C)c3C=O" CL7 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.5 "CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)[C@@H](C8=C9N6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=O)OC)C)C=O)C" CL7 SMILES "OpenEye OEToolkits" 1.7.5 "CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)C(C8=C9N6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)C)C=O)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 1 CL7 MG 5 "square pyramid" "square pyramidal" SPY FindGeo 1 CL7 MG 5 square-pyramid "square pyramidal" SQP MetalCoord # 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 1 1 CL7 MG "@SQP{Mg,N,N,N,N,O}" MetalCoord 2 1 CL7 MG "@SQP{Mg,N,N,N,N,N}" MetalCoord 3 1 CL7 MG "@SQP{Mg,N,N,N,N,C}" MetalCoord # 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 CL7 ARG None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 2 CL7 ASN None "Metal coordination" "Any position" MG OD1 ? ? "Amino-acid side chain" 3 CL7 ASN None "Metal coordination" "Any position" MG ND2 ? ? "Amino-acid side chain" 4 CL7 ASP None "Metal coordination" "Any position" MG OD2 ? ? "Amino-acid side chain" 5 CL7 ASP None "Metal coordination" "Any position" MG OD1 ? ? "Amino-acid side chain" 6 CL7 GLN None "Metal coordination" "Any position" MG OE1 ? ? "Amino-acid side chain" 7 CL7 GLN None "Metal coordination" "Any position" MG NE2 ? ? "Amino-acid side chain" 8 CL7 GLU None "Metal coordination" "Any position" MG OE2 ? ? "Amino-acid side chain" 9 CL7 GLU None "Metal coordination" "Any position" MG OE1 ? ? "Amino-acid side chain" 10 CL7 GLY None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 11 CL7 HIS None "Metal coordination" "Any position" MG NE2 ? ? "Amino-acid side chain" 12 CL7 HIS None "Metal coordination" "Any position" MG ND1 ? ? "Amino-acid side chain" 13 CL7 ILE None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 14 CL7 LEU None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 15 CL7 PHE None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 16 CL7 TRP None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 17 CL7 TYR None "Metal coordination" "Any position" MG OH ? ? "Amino-acid side chain" 18 CL7 VAL 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 CL7 "Create component" 2010-01-09 EBI CL7 "Modify aromatic_flag" 2011-06-04 RCSB CL7 "Modify descriptor" 2011-06-04 RCSB CL7 "Modify descriptor" 2012-01-05 RCSB CL7 "Modify coordinates" 2012-01-05 RCSB CL7 "Other modification" 2026-07-17 RCSB CL7 "Other modification" 2026-07-31 RCSB CL7 "Other modification" 2026-09-01 RCSB CL7 "Other modification" 2026-09-16 RCSB #