data_CLA # _chem_comp.id CLA _chem_comp.name "CHLOROPHYLL A" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C55 H72 Mg N4 O5" _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 2026-09-01 _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 893.489 _chem_comp.one_letter_code ? _chem_comp.three_letter_code CLA _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 1JB0 _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB _chem_comp.pdbx_pcm Y _chem_comp.pdbx_comp_type "metal-containing ligand" # 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_n_terminal_atom_flag _chem_comp_atom.pdbx_backbone_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 CLA MG MG MG 2 0 N N N N N N 72.794 131.018 77.144 5.489 0.263 -0.010 MG CLA 1 CLA CHA CHA C 0 1 N N N N N N 73.260 130.256 73.757 4.149 1.412 -3.031 CHA CLA 2 CLA CHB CHB C 0 1 N N N N N N 75.448 133.099 76.995 2.529 1.079 1.487 CHB CLA 3 CLA CHC CHC C 0 1 N N N N N N 71.903 132.500 80.188 6.497 -1.480 2.733 CHC CLA 4 CLA CHD CHD C 0 1 N N N N N N 69.718 129.450 76.997 8.248 -1.038 -1.770 CHD CLA 5 CLA NA "N A" N 0 1 N N N N N N 74.173 131.612 75.567 3.623 1.129 -0.699 NA CLA 6 CLA C1A C1A C 0 1 N N N N N N 74.226 131.081 74.289 3.278 1.588 -1.960 C1A CLA 7 CLA C2A C2A C 0 1 N N S N N N 75.451 131.585 73.569 1.910 2.251 -1.992 C2A CLA 8 CLA C3A C3A C 0 1 N N S N N N 76.142 132.454 74.620 1.654 2.480 -0.468 C3A CLA 9 CLA C4A C4A C 0 1 N N N N N N 75.224 132.392 75.813 2.640 1.494 0.151 C4A CLA 10 CLA CMA CMA C 0 1 N N N N N N 77.504 131.851 74.982 1.879 3.927 -0.016 CMA CLA 11 CLA CAA CAA C 0 1 N N N N N N 75.049 132.427 72.305 0.826 1.425 -2.720 CAA CLA 12 CLA CBA CBA C 0 1 N N N N N N 75.008 133.895 72.462 -0.312 2.238 -3.342 CBA CLA 13 CLA CGA CGA C 0 1 N N N N N N 73.928 134.544 71.716 -1.194 1.439 -4.255 CGA CLA 14 CLA O1A O1A O 0 1 N N N N N N 72.827 134.606 72.213 -0.894 1.099 -5.378 O1A CLA 15 CLA O2A O2A O 0 1 N N N N N N 74.133 135.091 70.509 -2.378 1.150 -3.666 O2A CLA 16 CLA NB "N B" N -1 1 Y N N N N N 73.537 132.567 78.352 4.621 -0.160 1.852 NB CLA 17 CLA C1B C1B C 0 1 Y N N N N N 74.701 133.205 78.103 3.419 0.275 2.300 C1B CLA 18 CLA C2B C2B C 0 1 Y N N N N N 74.993 134.121 79.191 3.218 -0.170 3.605 C2B CLA 19 CLA C3B C3B C 0 1 Y N N N N N 74.004 133.997 80.113 4.361 -0.932 3.984 C3B CLA 20 CLA C4B C4B C 0 1 Y N N N N N 73.077 132.961 79.599 5.213 -0.885 2.880 C4B CLA 21 CLA CMB CMB C 0 1 N N N N N N 76.165 135.065 79.200 2.001 0.084 4.453 CMB CLA 22 CLA CAB CAB C 0 1 N N N N N N 74.035 134.977 81.249 4.684 -1.627 5.269 CAB CLA 23 CLA CBB CBB C 0 1 N N N N N N 73.422 134.812 82.347 4.146 -1.665 6.470 CBB CLA 24 CLA NC "N C" N 0 1 N N N N N N 71.074 131.010 78.367 7.101 -1.086 0.399 NC CLA 25 CLA C1C C1C C 0 1 N N N N N N 70.972 131.582 79.612 7.372 -1.594 1.632 C1C CLA 26 CLA C2C C2C C 0 1 N N N N N N 69.756 131.098 80.250 8.606 -2.207 1.608 C2C CLA 27 CLA C3C C3C C 0 1 N N N N N N 69.138 130.234 79.370 9.107 -2.077 0.340 C3C CLA 28 CLA C4C C4C C 0 1 N N N N N N 69.979 130.187 78.167 8.168 -1.390 -0.404 C4C CLA 29 CLA CMC CMC C 0 1 N N N N N N 69.263 131.521 81.612 9.297 -2.889 2.762 CMC CLA 30 CLA CAC CAC C 0 1 N N N N N N 67.877 129.437 79.571 10.433 -2.593 -0.162 CAC CLA 31 CLA CBC CBC C 0 1 N N N N N N 66.748 129.956 78.658 10.329 -3.983 -0.777 CBC CLA 32 CLA ND "N D" N -1 1 N N N N N N 71.660 130.096 75.722 6.136 0.127 -1.968 ND CLA 33 CLA C1D C1D C 0 1 N N N N N N 70.506 129.417 75.821 7.298 -0.363 -2.535 C1D CLA 34 CLA C2D C2D C 0 1 N N N N N N 70.194 128.732 74.614 7.291 -0.073 -3.922 C2D CLA 35 CLA C3D C3D C 0 1 N N N N N N 71.260 129.020 73.756 6.086 0.629 -4.174 C3D CLA 36 CLA C4D C4D C 0 1 N N N N N N 72.137 129.847 74.465 5.417 0.727 -2.967 C4D CLA 37 CLA CMD CMD C 0 1 N N N N N N 68.964 127.853 74.306 8.319 -0.399 -4.955 CMD CLA 38 CLA CAD CAD C 0 1 N N N N N N 71.845 128.770 72.463 5.272 1.274 -5.207 CAD CLA 39 CLA OBD OBD O 0 1 N N N N N N 71.435 128.110 71.493 5.451 1.377 -6.413 OBD CLA 40 CLA CBD CBD C 0 1 N N R N N N 73.233 129.465 72.442 4.022 1.897 -4.468 CBD CLA 41 CLA CGD CGD C 0 1 N N N N N N 74.312 128.363 72.426 4.111 3.409 -4.589 CGD CLA 42 CLA O1D O1D O 0 1 N N N N N N 74.532 127.700 73.414 5.010 4.059 -4.126 O1D CLA 43 CLA O2D O2D O 0 1 N N N N N N 74.970 128.145 71.305 3.066 3.911 -5.273 O2D CLA 44 CLA CED CED C 0 1 N N N N N N 75.536 126.852 71.036 3.001 5.347 -5.475 CED CLA 45 CLA C1 C1 C 0 1 N N N N N N 73.028 135.816 69.842 -3.458 0.415 -4.302 C1 CLA 46 CLA C2 C2 C 0 1 N N N N N N 72.239 134.795 69.017 -4.310 -0.225 -3.256 C2 CLA 47 CLA C3 C3 C 0 1 N N N N N N 72.651 133.940 68.062 -5.349 -1.060 -3.403 C3 CLA 48 CLA C4 C4 C 0 1 N N N N N N 74.104 133.887 67.566 -5.991 -1.498 -4.704 C4 CLA 49 CLA C5 C5 C 0 1 N N N N N N 71.735 132.948 67.319 -5.961 -1.676 -2.157 C5 CLA 50 CLA C6 C6 C 0 1 N N N N N N 70.419 132.608 68.026 -7.052 -0.832 -1.500 C6 CLA 51 CLA C7 C7 C 0 1 N N N N N N 70.617 131.890 69.338 -7.423 -1.223 -0.060 C7 CLA 52 CLA C8 C8 C 0 1 N N R N N N 69.463 132.155 70.320 -8.643 -0.462 0.540 C8 CLA 53 CLA C9 C9 C 0 1 N N N N N N 69.900 131.877 71.753 -8.223 0.881 1.196 C9 CLA 54 CLA C10 C10 C 0 1 N N N N N N 68.305 131.263 69.936 -9.553 -1.312 1.482 C10 CLA 55 CLA C11 C11 C 0 1 N N N N N N 66.894 131.816 70.018 -11.054 -0.973 1.417 C11 CLA 56 CLA C12 C12 C 0 1 N N N N N N 66.082 130.778 69.215 -11.953 -1.591 2.506 C12 CLA 57 CLA C13 C13 C 0 1 N N R N N N 64.762 130.213 69.787 -13.290 -0.828 2.774 C13 CLA 58 CLA C14 C14 C 0 1 N N N N N N 63.621 131.230 69.688 -13.105 0.325 3.792 C14 CLA 59 CLA C15 C15 C 0 1 N N N N N N 64.973 129.736 71.247 -14.517 -1.724 3.134 C15 CLA 60 CLA C16 C16 C 0 1 N N N N N N 65.922 128.565 71.486 -15.674 -1.674 2.118 C16 CLA 61 CLA C17 C17 C 0 1 N N N N N N 65.405 127.211 71.051 -16.898 -2.560 2.418 C17 CLA 62 CLA C18 C18 C 0 1 N N N N N N 65.636 126.115 72.098 -17.980 -1.969 3.365 C18 CLA 63 CLA C19 C19 C 0 1 N N N N N N 64.480 126.014 73.076 -19.339 -1.766 2.665 C19 CLA 64 CLA C20 C20 C 0 1 N N N N N N 65.840 124.785 71.406 -18.143 -2.778 4.667 C20 CLA 65 CLA HHB HHB H 0 1 N N N N N N 76.376 133.652 77.021 1.756 1.374 1.939 HHB CLA 66 CLA HHC HHC H 0 1 N N N N N N 71.674 132.872 81.176 6.837 -1.846 3.535 HHC CLA 67 CLA HHD HHD H 0 1 N N N N N N 68.823 128.846 76.996 9.036 -1.281 -2.235 HHD CLA 68 CLA H2A H2A H 0 1 N N N N N N 76.101 130.749 73.272 2.004 3.118 -2.470 H2A CLA 69 CLA H3A H3A H 0 1 N N N N N N 76.256 133.487 74.260 0.725 2.250 -0.197 H3A CLA 70 CLA HMA1 HMA1 H 0 0 N N N N N N 77.995 132.481 75.738 1.706 4.004 0.940 HMA1 CLA 71 CLA HMA2 HMA2 H 0 0 N N N N N N 77.361 130.838 75.386 1.275 4.524 -0.498 HMA2 CLA 72 CLA HMA3 HMA3 H 0 0 N N N N N N 78.134 131.801 74.081 2.801 4.192 -0.194 HMA3 CLA 73 CLA HAA1 HAA1 H 0 0 N N N N N N 75.774 132.199 71.510 0.438 0.777 -2.086 HAA1 CLA 74 CLA HAA2 HAA2 H 0 0 N N N N N N 74.047 132.099 71.993 1.261 0.906 -3.435 HAA2 CLA 75 CLA HBA1 HBA1 H 0 0 N N N N N N 74.878 134.125 73.530 0.069 2.985 -3.853 HBA1 CLA 76 CLA HBA2 HBA2 H 0 0 N N N N N N 75.966 134.307 72.112 -0.856 2.623 -2.622 HBA2 CLA 77 CLA HMB1 HMB1 H 0 0 N N N N N N 75.877 136.013 78.721 1.824 -0.690 5.010 HMB1 CLA 78 CLA HMB2 HMB2 H 0 0 N N N N N N 76.473 135.258 80.238 1.228 0.244 3.889 HMB2 CLA 79 CLA HMB3 HMB3 H 0 0 N N N N N N 77.003 134.615 78.647 2.154 0.859 5.017 HMB3 CLA 80 CLA HAB HAB H 0 1 N N N N N N 74.616 135.879 81.124 5.438 -2.193 5.234 HAB CLA 81 CLA HBB1 HBB1 H 0 0 N N N N N N 73.490 135.562 83.121 4.524 -2.219 7.132 HBB1 CLA 82 CLA HBB2 HBB2 H 0 0 N N N N N N 72.832 133.922 82.507 3.402 -1.127 6.679 HBB2 CLA 83 CLA HMC1 HMC1 H 0 0 N N N N N N 68.323 130.998 81.841 9.877 -3.595 2.435 HMC1 CLA 84 CLA HMC2 HMC2 H 0 0 N N N N N N 70.018 131.266 82.370 8.640 -3.282 3.357 HMC2 CLA 85 CLA HMC3 HMC3 H 0 0 N N N N N N 69.089 132.607 81.618 9.827 -2.240 3.253 HMC3 CLA 86 CLA HAC1 HAC1 H 0 0 N N N N N N 68.076 128.382 79.333 11.081 -2.619 0.578 HAC1 CLA 87 CLA HAC2 HAC2 H 0 0 N N N N N N 67.560 129.523 80.621 10.789 -1.973 -0.838 HAC2 CLA 88 CLA HBC1 HBC1 H 0 0 N N N N N N 65.839 129.359 78.823 11.209 -4.271 -1.082 HBC1 CLA 89 CLA HBC2 HBC2 H 0 0 N N N N N N 66.542 131.011 78.893 9.716 -3.959 -1.534 HBC2 CLA 90 CLA HBC3 HBC3 H 0 0 N N N N N N 67.058 129.869 77.606 9.996 -4.611 -0.109 HBC3 CLA 91 CLA HMD1 HMD1 H 0 0 N N N N N N 69.033 127.473 73.276 7.892 -0.481 -5.824 HMD1 CLA 92 CLA HMD2 HMD2 H 0 0 N N N N N N 68.934 127.006 75.007 8.754 -1.239 -4.728 HMD2 CLA 93 CLA HMD3 HMD3 H 0 0 N N N N N N 68.048 128.453 74.415 8.983 0.310 -4.987 HMD3 CLA 94 CLA HBD HBD H 0 1 N N N N N N 73.330 130.131 71.572 3.162 1.577 -4.853 HBD CLA 95 CLA HED1 HED1 H 0 0 N N N N N N 76.041 126.868 70.059 2.974 5.794 -4.614 HED1 CLA 96 CLA HED2 HED2 H 0 0 N N N N N N 76.264 126.600 71.821 2.199 5.565 -5.979 HED2 CLA 97 CLA HED3 HED3 H 0 0 N N N N N N 74.736 126.097 71.022 3.784 5.640 -5.969 HED3 CLA 98 CLA H11 H11 H 0 1 N N N N N N 72.372 136.277 70.596 -3.086 -0.276 -4.892 H11 CLA 99 CLA H12 H12 H 0 1 N N N N N N 73.435 136.597 69.183 -3.999 1.031 -4.842 H12 CLA 100 CLA H2 H2 H 0 1 N N N N N N 71.182 134.754 69.237 -4.076 0.010 -2.371 H2 CLA 101 CLA H41 H41 H 0 1 N N N N N N 74.199 133.115 66.788 -5.595 -1.032 -5.453 H41 CLA 102 CLA H42 H42 H 0 1 N N N N N N 74.384 134.865 67.147 -6.941 -1.304 -4.681 H42 CLA 103 CLA H43 H43 H 0 1 N N N N N N 74.770 133.644 68.407 -5.864 -2.452 -4.824 H43 CLA 104 CLA H51 H51 H 0 1 N N N N N N 71.490 133.382 66.338 -5.253 -1.833 -1.501 H51 CLA 105 CLA H52 H52 H 0 1 N N N N N N 72.295 132.012 67.176 -6.344 -2.548 -2.382 H52 CLA 106 CLA H61 H61 H 0 1 N N N N N N 69.874 133.544 68.218 -7.856 -0.894 -2.063 H61 CLA 107 CLA H62 H62 H 0 1 N N N N N N 69.822 131.965 67.363 -6.761 0.107 -1.505 H62 CLA 108 CLA H71 H71 H 0 1 N N N N N N 70.678 130.809 69.145 -6.638 -1.073 0.512 H71 CLA 109 CLA H72 H72 H 0 1 N N N N N N 71.557 132.235 69.793 -7.609 -2.188 -0.047 H72 CLA 110 CLA H8 H8 H 0 1 N N N N N N 69.155 133.208 70.234 -9.220 -0.234 -0.238 H8 CLA 111 CLA H91 H91 H 0 1 N N N N N N 69.061 132.073 72.437 -9.012 1.359 1.505 H91 CLA 112 CLA H92 H92 H 0 1 N N N N N N 70.210 130.826 71.844 -7.752 1.432 0.546 H92 CLA 113 CLA H93 H93 H 0 1 N N N N N N 70.745 132.532 72.012 -7.638 0.707 1.952 H93 CLA 114 CLA H101 H101 H 0 0 N N N N N N 68.469 130.951 68.894 -9.246 -1.200 2.409 H101 CLA 115 CLA H102 H102 H 0 0 N N N N N N 68.345 130.382 70.593 -9.452 -2.262 1.256 H102 CLA 116 CLA H111 H111 H 0 0 N N N N N N 66.548 131.871 71.061 -11.394 -1.264 0.542 H111 CLA 117 CLA H112 H112 H 0 0 N N N N N N 66.830 132.813 69.558 -11.153 0.005 1.447 H112 CLA 118 CLA H121 H121 H 0 0 N N N N N N 65.835 131.246 68.251 -11.443 -1.643 3.345 H121 CLA 119 CLA H122 H122 H 0 0 N N N N N N 66.747 129.918 69.045 -12.160 -2.512 2.235 H122 CLA 120 CLA H13 H13 H 0 1 N N N N N N 64.485 129.335 69.185 -13.520 -0.403 1.905 H13 CLA 121 CLA H141 H141 H 0 0 N N N N N N 62.702 130.792 70.104 -13.939 0.817 3.889 H141 CLA 122 CLA H142 H142 H 0 0 N N N N N N 63.886 132.134 70.256 -12.412 0.931 3.479 H142 CLA 123 CLA H143 H143 H 0 0 N N N N N N 63.456 131.495 68.633 -12.846 -0.040 4.655 H143 CLA 124 CLA H151 H151 H 0 0 N N N N N N 65.359 130.593 71.819 -14.870 -1.455 4.011 H151 CLA 125 CLA H152 H152 H 0 0 N N N N N N 63.988 129.445 71.642 -14.224 -2.658 3.216 H152 CLA 126 CLA H161 H161 H 0 0 N N N N N N 66.853 128.765 70.936 -15.321 -1.935 1.239 H161 CLA 127 CLA H162 H162 H 0 0 N N N N N N 66.136 128.516 72.564 -15.973 -0.740 2.035 H162 CLA 128 CLA H171 H171 H 0 0 N N N N N N 64.324 127.293 70.862 -16.575 -3.407 2.796 H171 CLA 129 CLA H172 H172 H 0 0 N N N N N N 65.919 126.922 70.122 -17.320 -2.779 1.558 H172 CLA 130 CLA H18 H18 H 0 1 N N N N N N 66.549 126.361 72.660 -17.674 -1.065 3.640 H18 CLA 131 CLA H191 H191 H 0 0 N N N N N N 64.686 125.218 73.807 -19.972 -1.361 3.283 H191 CLA 132 CLA H192 H192 H 0 0 N N N N N N 64.360 126.973 73.602 -19.685 -2.625 2.366 H192 CLA 133 CLA H193 H193 H 0 0 N N N N N N 63.556 125.778 72.528 -19.225 -1.181 1.897 H193 CLA 134 CLA H201 H201 H 0 0 N N N N N N 66.005 124.001 72.159 -17.291 -2.816 5.135 H201 CLA 135 CLA H202 H202 H 0 0 N N N N N N 64.947 124.540 70.812 -18.435 -3.682 4.458 H202 CLA 136 CLA H203 H203 H 0 0 N N N N N N 66.716 124.847 70.743 -18.803 -2.351 5.241 H203 CLA 137 # 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 CLA MG NA SING N N 1 Y N CLA MG NB SING N N 2 Y N CLA MG NC SING N N 3 Y N CLA MG ND SING N N 4 Y N CLA CHA C1A SING N N 5 N N CLA CHA C4D DOUB N N 6 N N CLA CHA CBD SING N N 7 N N CLA CHB C4A DOUB N N 8 N N CLA CHB C1B SING N N 9 N N CLA CHB HHB SING N N 10 N N CLA CHC C4B SING N N 11 N N CLA CHC C1C DOUB N N 12 N N CLA CHC HHC SING N N 13 N N CLA CHD C4C SING N N 14 N N CLA CHD C1D DOUB N N 15 N N CLA CHD HHD SING N N 16 N N CLA NA C1A DOUB N N 17 N N CLA NA C4A SING N N 18 N N CLA C1A C2A SING N N 19 N N CLA C2A C3A SING N N 20 N N CLA C2A CAA SING N N 21 N N CLA C2A H2A SING N N 22 N N CLA C3A C4A SING N N 23 N N CLA C3A CMA SING N N 24 N N CLA C3A H3A SING N N 25 N N CLA CMA HMA1 SING N N 26 N N CLA CMA HMA2 SING N N 27 N N CLA CMA HMA3 SING N N 28 N N CLA CAA CBA SING N N 29 N N CLA CAA HAA1 SING N N 30 N N CLA CAA HAA2 SING N N 31 N N CLA CBA CGA SING N N 32 N N CLA CBA HBA1 SING N N 33 N N CLA CBA HBA2 SING N N 34 N N CLA CGA O1A DOUB N N 35 N N CLA CGA O2A SING N N 36 N N CLA O2A C1 SING N N 37 N N CLA NB C1B SING Y N 38 N N CLA NB C4B SING Y N 39 N N CLA C1B C2B DOUB Y N 40 N N CLA C2B C3B SING Y N 41 N N CLA C2B CMB SING N N 42 N N CLA C3B C4B DOUB Y N 43 N N CLA C3B CAB SING N N 44 N N CLA CMB HMB1 SING N N 45 N N CLA CMB HMB2 SING N N 46 N N CLA CMB HMB3 SING N N 47 N N CLA CAB CBB DOUB N N 48 N N CLA CAB HAB SING N N 49 N N CLA CBB HBB1 SING N N 50 N N CLA CBB HBB2 SING N N 51 N N CLA NC C1C SING N N 52 N N CLA NC C4C DOUB N N 53 N N CLA C1C C2C SING N N 54 N N CLA C2C C3C DOUB N N 55 N N CLA C2C CMC SING N N 56 N N CLA C3C C4C SING N N 57 N N CLA C3C CAC SING N N 58 N N CLA CMC HMC1 SING N N 59 N N CLA CMC HMC2 SING N N 60 N N CLA CMC HMC3 SING N N 61 N N CLA CAC CBC SING N N 62 N N CLA CAC HAC1 SING N N 63 N N CLA CAC HAC2 SING N N 64 N N CLA CBC HBC1 SING N N 65 N N CLA CBC HBC2 SING N N 66 N N CLA CBC HBC3 SING N N 67 N N CLA ND C1D SING N N 68 N N CLA ND C4D SING N N 69 N N CLA C1D C2D SING N N 70 N N CLA C2D C3D DOUB N N 71 N N CLA C2D CMD SING N N 72 N N CLA C3D C4D SING N N 73 N N CLA C3D CAD SING N N 74 N N CLA CMD HMD1 SING N N 75 N N CLA CMD HMD2 SING N N 76 N N CLA CMD HMD3 SING N N 77 N N CLA CAD OBD DOUB N N 78 N N CLA CAD CBD SING N N 79 N N CLA CBD CGD SING N N 80 N N CLA CBD HBD SING N N 81 N N CLA CGD O1D DOUB N N 82 N N CLA CGD O2D SING N N 83 N N CLA O2D CED SING N N 84 N N CLA CED HED1 SING N N 85 N N CLA CED HED2 SING N N 86 N N CLA CED HED3 SING N N 87 N N CLA C1 C2 SING N N 88 N N CLA C1 H11 SING N N 89 N N CLA C1 H12 SING N N 90 N N CLA C2 C3 DOUB N E 91 N N CLA C2 H2 SING N N 92 N N CLA C3 C4 SING N N 93 N N CLA C3 C5 SING N N 94 N N CLA C4 H41 SING N N 95 N N CLA C4 H42 SING N N 96 N N CLA C4 H43 SING N N 97 N N CLA C5 C6 SING N N 98 N N CLA C5 H51 SING N N 99 N N CLA C5 H52 SING N N 100 N N CLA C6 C7 SING N N 101 N N CLA C6 H61 SING N N 102 N N CLA C6 H62 SING N N 103 N N CLA C7 C8 SING N N 104 N N CLA C7 H71 SING N N 105 N N CLA C7 H72 SING N N 106 N N CLA C8 C9 SING N N 107 N N CLA C8 C10 SING N N 108 N N CLA C8 H8 SING N N 109 N N CLA C9 H91 SING N N 110 N N CLA C9 H92 SING N N 111 N N CLA C9 H93 SING N N 112 N N CLA C10 C11 SING N N 113 N N CLA C10 H101 SING N N 114 N N CLA C10 H102 SING N N 115 N N CLA C11 C12 SING N N 116 N N CLA C11 H111 SING N N 117 N N CLA C11 H112 SING N N 118 N N CLA C12 C13 SING N N 119 N N CLA C12 H121 SING N N 120 N N CLA C12 H122 SING N N 121 N N CLA C13 C14 SING N N 122 N N CLA C13 C15 SING N N 123 N N CLA C13 H13 SING N N 124 N N CLA C14 H141 SING N N 125 N N CLA C14 H142 SING N N 126 N N CLA C14 H143 SING N N 127 N N CLA C15 C16 SING N N 128 N N CLA C15 H151 SING N N 129 N N CLA C15 H152 SING N N 130 N N CLA C16 C17 SING N N 131 N N CLA C16 H161 SING N N 132 N N CLA C16 H162 SING N N 133 N N CLA C17 C18 SING N N 134 N N CLA C17 H171 SING N N 135 N N CLA C17 H172 SING N N 136 N N CLA C18 C19 SING N N 137 N N CLA C18 C20 SING N N 138 N N CLA C18 H18 SING N N 139 N N CLA C19 H191 SING N N 140 N N CLA C19 H192 SING N N 141 N N CLA C19 H193 SING N N 142 N N CLA C20 H201 SING N N 143 N N CLA C20 H202 SING N N 144 N N CLA C20 H203 SING N N 145 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 CLA SMILES ACDLabs 14.52 "O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9" CLA InChI InChI 1.06 "InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1" CLA InChIKey InChI 1.06 ATNHDLDRLWWWCB-AENOIHSZSA-M CLA SMILES_CANONICAL CACTVS 3.385 "CCC1=C(C)C2=Cc3n4[Mg][N@@]5C(=CC1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C" CLA SMILES CACTVS 3.385 "CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C" CLA SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=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=C)C" CLA SMILES "OpenEye OEToolkits" 3.1.0.0 "CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=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=C)C" # 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 CLA "SYSTEMATIC NAME" ACDLabs 14.52 "(T-4-S)-[(3S,4S,21R,23R,25R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-23,25-didehydrophorbine-23,25-diido-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium" CLA "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "methyl (5~{R},22~{S},23~{S})-17-ethenyl-12-ethyl-8,13,18,22-tetramethyl-6-oxidanylidene-23-[3-oxidanylidene-3-[(~{E},7~{R},11~{R})-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-2,25$l^{4},26$l^{4},27-tetraza-1$l^{4}-magnesanonacyclo[12.11.1.1^{1,16}.0^{2,9}.0^{3,7}.0^{4,24}.0^{11,26}.0^{21,25}.0^{19,27}]heptacosa-3,7,9,11(26),12,14,16,18,20,24-decaene-5-carboxylate" # 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 CLA MG 5 square-pyramid "square pyramidal" SQP MetalCoord 8OV5 1 CLA MG 5 "square pyramid" "square pyramidal" SPY FindGeo 3IIS # 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 CLA MG "@SQP{Mg,N,N,N,N,O}" MetalCoord 8OV5 2 1 CLA MG "@SQP{Mg,N,N,N,N,N}" MetalCoord 9EVX 3 1 CLA MG "@SQP{Mg,N,N,N,N,C}" MetalCoord 9EVX 4 1 CLA MG "@SQP{Mg,N,N,N,N,S}" MetalCoord 9UH3 5 1 CLA MG "@SQP{Mg,C,N,N,N,N}" MetalCoord 9I4T 6 1 CLA MG "@SQP{Mg,N,N,N,N,P}" MetalCoord 3PL9 # 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 CLA ALA None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 2 CLA ALA None "Metal coordination" "Any position" MG N ? ? "Amino-acid backbone" 3 CLA ARG None "Metal coordination" "Any position" MG NH1 ? ? "Amino-acid side chain" 4 CLA ARG None "Metal coordination" "Any position" MG NH2 ? ? "Amino-acid side chain" 5 CLA ARG None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 6 CLA ARG None "Metal coordination" "Any position" MG NE ? ? "Amino-acid side chain" 7 CLA ASN None "Metal coordination" "Any position" MG OD1 ? ? "Amino-acid side chain" 8 CLA ASN None "Metal coordination" "Any position" MG ND2 ? ? "Amino-acid side chain" 9 CLA ASN None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 10 CLA ASP None "Metal coordination" "Any position" MG OD2 ? ? "Amino-acid side chain" 11 CLA ASP None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 12 CLA ASP None "Metal coordination" "Any position" MG OD1 ? ? "Amino-acid side chain" 13 CLA CYS None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 14 CLA GLN None "Metal coordination" "Any position" MG OE1 ? ? "Amino-acid side chain" 15 CLA GLN None "Metal coordination" "Any position" MG NE2 ? ? "Amino-acid side chain" 16 CLA GLU None "Metal coordination" "Any position" MG OE2 ? ? "Amino-acid side chain" 17 CLA GLU None "Metal coordination" "Any position" MG OE1 ? ? "Amino-acid side chain" 18 CLA GLU None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 19 CLA GLY None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 20 CLA GLY None "Metal coordination" "Any position" MG N ? ? "Amino-acid backbone" 21 CLA HIS None "Metal coordination" "Any position" MG NE2 ? ? "Amino-acid side chain" 22 CLA HIS None "Metal coordination" "Any position" MG ND1 ? ? "Amino-acid side chain" 23 CLA ILE None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 24 CLA LEU None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 25 CLA LEU None "Metal coordination" "Any position" MG N ? ? "Amino-acid backbone" 26 CLA LYS None "Metal coordination" "Any position" MG NZ ? ? "Amino-acid side chain" 27 CLA LYS None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 28 CLA MET None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 29 CLA MET None "Metal coordination" "Any position" MG SD ? ? "Amino-acid side chain" 30 CLA PHE None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 31 CLA PHE None "Metal coordination" "Any position" MG N ? ? "Amino-acid backbone" 32 CLA PRO None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 33 CLA SER None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 34 CLA SER None "Metal coordination" "Any position" MG OG ? ? "Amino-acid side chain" 35 CLA THR None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 36 CLA THR None "Metal coordination" "Any position" MG OG1 ? ? "Amino-acid side chain" 37 CLA TRP None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 38 CLA TRP None "Metal coordination" "Any position" MG NE1 ? ? "Amino-acid side chain" 39 CLA TYR None "Metal coordination" "Any position" MG OH ? ? "Amino-acid side chain" 40 CLA TYR None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 41 CLA UNK None "Metal coordination" "Any position" MG O ? ? "Amino-acid backbone" 42 CLA 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 CLA "Create component" 1999-07-08 ? CLA "Other modification" 2012-07-18 RCSB CLA "Other modification" 2021-06-25 RCSB CLA "Modify aromatic_flag" 2026-05-08 RCSB CLA "Other modification" 2026-07-17 RCSB CLA "Other modification" 2026-07-31 RCSB CLA "Other modification" 2026-09-01 RCSB #