data_F43 # _chem_comp.id F43 _chem_comp.name "FACTOR 430" _chem_comp.type non-polymer _chem_comp.pdbx_type HETAIN _chem_comp.formula "C42 H51 N6 Ni O13" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge ? _chem_comp.pdbx_initial_date 1999-07-08 _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 906.580 _chem_comp.one_letter_code ? _chem_comp.three_letter_code F43 _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 5A0Y _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 F43 NI NI NI ? 0 N N N N N N 30.269 31.573 -6.665 30.637 31.495 -6.366 NI F43 1 F43 NA NA N 0 1 N N N N N N 31.439 32.619 -8.065 31.727 32.446 -7.972 NA F43 2 F43 CHA CHA C 0 1 N N N N N N 31.559 30.718 -9.575 31.603 30.440 -9.246 CHA F43 3 F43 C1A C1A C 0 1 N N N N N N 31.973 32.055 -9.078 32.143 31.825 -9.008 C1A F43 4 F43 C2A C2A C 0 1 N N S N N N 33.147 32.811 -9.674 33.168 32.611 -9.864 C2A F43 5 F43 C3A C3A C 0 1 N N S N N N 33.445 33.832 -8.549 33.449 33.826 -8.832 C3A F43 6 F43 C4A C4A C 0 1 N N S N N N 32.032 33.985 -7.957 32.082 33.870 -8.090 C4A F43 7 F43 C5A C5A C 0 1 N N N N N N 32.685 33.516 -10.991 32.479 33.042 -11.206 C5A F43 8 F43 C6A C6A C 0 1 N N N N N N 33.814 34.314 -11.644 33.229 33.975 -12.145 C6A F43 9 F43 O7A O7A O 0 1 N N N N N N 34.695 33.744 -12.307 33.956 33.496 -13.023 O7A F43 10 F43 N8A N8A N 0 1 N N N N N N 33.808 35.607 -11.466 33.070 35.291 -12.018 N8A F43 11 F43 C9A C9A C 0 1 N N N N N N 34.291 31.803 -9.966 34.379 31.703 -10.198 C9A F43 12 F43 CAA CAA C 0 1 N N N N N N 34.478 33.387 -7.485 34.754 33.905 -8.014 CAA F43 13 F43 CBA CBA C 0 1 N N N N N N 35.942 33.436 -7.969 35.902 34.691 -8.655 CBA F43 14 F43 CCA CCA C 0 1 N N N N N N 36.838 34.072 -6.923 37.194 34.627 -7.859 CCA F43 15 F43 ODA ODA O -1 1 N N N N N N 37.466 35.102 -7.266 37.327 35.405 -6.892 ODA F43 16 F43 OEA OEA O 0 1 N N N N N N 36.909 33.554 -5.793 38.059 33.798 -8.211 OEA F43 17 F43 NB NB N 0 1 N N N N N N 29.939 33.397 -5.703 30.290 33.387 -5.447 NB F43 18 F43 CHB CHB C 0 1 N N N N N N 31.910 34.580 -6.560 31.887 34.617 -6.735 CHB F43 19 F43 C1B C1B C 0 1 N N S N N N 30.442 34.740 -6.118 30.514 34.730 -6.025 C1B F43 20 F43 C2B C2B C 0 1 N N S N N N 30.188 35.664 -4.894 30.285 35.727 -4.822 C2B F43 21 F43 C3B C3B C 0 1 N N S N N N 29.981 34.717 -3.731 30.609 34.791 -3.598 C3B F43 22 F43 C4B C4B C 0 1 N N N N N N 29.571 33.441 -4.461 30.097 33.470 -4.164 C4B F43 23 F43 N5B N5B N 0 1 N N N N N N 29.635 35.365 -7.172 29.426 35.069 -6.957 N5B F43 24 F43 C6B C6B C 0 1 N N N N N N 28.847 36.352 -6.742 28.496 35.872 -6.437 C6B F43 25 F43 O7B O7B O 0 1 N N N N N N 28.195 37.091 -7.473 27.538 36.333 -7.067 O7B F43 26 F43 C8B C8B C 0 1 N N N N N N 28.883 36.425 -5.236 28.788 36.076 -4.981 C8B F43 27 F43 C9B C9B C 0 1 N N N N N N 31.262 36.746 -4.700 31.087 37.056 -4.842 C9B F43 28 F43 CAB CAB C 0 1 N N N N N N 31.242 34.482 -2.845 32.037 34.560 -2.997 CAB F43 29 F43 CBB CBB C 0 1 N N N N N N 31.062 33.426 -1.735 32.120 34.188 -1.514 CBB F43 30 F43 CCB CCB C 0 1 N N N N N N 32.157 33.557 -0.687 33.488 33.688 -1.084 CCB F43 31 F43 ODB ODB O 0 1 N N N N N N 32.323 34.704 -0.212 34.355 34.536 -0.786 ODB F43 32 F43 OEB OEB O -1 1 N N N N N N 32.780 32.519 -0.340 33.679 32.454 -1.051 OEB F43 33 F43 NC NC N -1 1 N N N N N N 29.384 30.472 -5.165 29.618 30.529 -4.863 NC F43 34 F43 CHC CHC C 0 1 N N N N N N 28.939 32.338 -3.709 29.534 32.473 -3.383 CHC F43 35 F43 C1C C1C C 0 1 N N N N N N 28.847 31.051 -4.046 29.199 31.177 -3.744 C1C F43 36 F43 C2C C2C C 0 1 N N S N N N 28.168 30.054 -3.172 28.209 30.340 -2.955 C2C F43 37 F43 C3C C3C C 0 1 N N S N N N 28.678 28.714 -3.680 28.600 28.919 -3.435 C3C F43 38 F43 C4C C4C C 0 1 N N N N N N 29.234 29.100 -5.053 29.255 29.209 -4.771 C4C F43 39 F43 C5C C5C C 0 1 N N N N N N 26.639 30.216 -3.301 26.753 30.770 -3.205 C5C F43 40 F43 C6C C6C C 0 1 N N N N N N 25.949 29.267 -2.341 25.755 30.168 -2.231 C6C F43 41 F43 O7C O7C O 0 1 N N N N N N 26.164 29.460 -1.112 25.515 30.817 -1.191 O7C F43 42 F43 O8C O8C O -1 1 N N N N N N 25.191 28.347 -2.778 25.250 29.069 -2.543 O8C F43 43 F43 C8C C8C C 0 1 N N N N N N 29.810 28.094 -2.836 29.502 28.090 -2.493 C8C F43 44 F43 C9C C9C C 0 1 N N N N N N 29.269 27.561 -1.514 28.768 27.229 -1.463 C9C F43 45 F43 CAC CAC C 0 1 N N N N N N 30.333 26.889 -0.629 29.692 26.533 -0.481 CAC F43 46 F43 OBC OBC O -1 1 N N N N N N 31.540 26.944 -0.935 30.008 27.144 0.562 OBC F43 47 F43 OCC OCC O 0 1 N N N N N N 29.966 26.338 0.422 30.090 25.383 -0.763 OCC F43 48 F43 ND ND N 0 1 N N N N N N 30.904 29.763 -7.383 31.040 29.558 -7.079 ND F43 49 F43 CHD CHD C 0 1 N N N N N N 29.712 28.180 -5.973 29.582 28.158 -5.800 CHD F43 50 F43 C5D C5D C 0 1 N N N N N N 30.658 26.187 -7.955 30.299 26.167 -7.919 C5D F43 51 F43 C6D C6D C 0 1 N N N N N N 30.107 25.714 -6.605 29.435 25.695 -6.748 C6D F43 52 F43 C7D C7D C 0 1 N N N N N N 29.315 26.756 -5.868 28.882 26.797 -5.884 C7D F43 53 F43 O8D O8D O 0 1 N N N N N N 28.403 26.336 -5.157 27.868 26.556 -5.238 O8D F43 54 F43 C9D C9D C 0 1 N N N N N N 33.184 27.791 -9.569 33.513 27.395 -8.868 C9D F43 55 F43 CAD CAD C 0 1 N N N N N N 33.149 26.490 -10.338 33.543 26.046 -9.566 CAD F43 56 F43 OBD OBD O 0 1 N N N N N N 32.047 26.114 -10.841 33.544 26.054 -10.815 OBD F43 57 F43 OCD OCD O -1 1 N N N N N N 34.207 25.790 -10.418 33.565 25.031 -8.839 OCD F43 58 F43 C1D C1D C 0 1 N N N N N N 30.609 28.519 -6.989 30.564 28.408 -6.766 C1D F43 59 F43 C2D C2D C 0 1 N N S N N N 31.417 27.486 -7.750 31.279 27.253 -7.470 C2D F43 60 F43 C3D C3D C 0 1 N N S N N N 31.850 28.237 -8.995 32.099 27.937 -8.594 C3D F43 61 F43 C4D C4D C 0 1 N N R N N N 31.881 29.690 -8.486 32.017 29.417 -8.186 C4D F43 62 F43 H4A H4A H 0 1 N N N N N N 31.471 34.642 -8.637 31.437 34.319 -8.687 H4A F43 63 F43 HHA1 HHA1 H 0 0 N N N N N N 30.479 30.715 -9.784 31.896 30.125 -10.127 HHA1 F43 64 F43 HHA2 HHA2 H 0 0 N N N N N N 32.111 30.474 -10.494 30.623 30.485 -9.275 HHA2 F43 65 F43 H4D H4D H 0 1 N N N N N N 32.887 29.900 -8.094 32.906 29.676 -7.835 H4D F43 66 F43 H3A H3A H 0 1 N N N N N N 33.764 34.786 -8.994 33.431 34.660 -9.368 H3A F43 67 F43 H5A1 H5A1 H 0 0 N N N N N N 32.336 32.750 -11.700 31.634 33.465 -10.988 H5A1 F43 68 F43 H5A2 H5A2 H 0 0 N N N N N N 31.857 34.201 -10.755 32.262 32.237 -11.705 H5A2 F43 69 F43 H9A1 H9A1 H 0 0 N N N N N N 35.150 32.337 -10.399 34.118 31.018 -10.846 H9A1 F43 70 F43 H9A2 H9A2 H 0 0 N N N N N N 34.597 31.315 -9.029 34.693 31.262 -9.386 H9A2 F43 71 F43 H9A3 H9A3 H 0 0 N N N N N N 33.937 31.042 -10.677 35.100 32.243 -10.574 H9A3 F43 72 F43 HAA1 HAA1 H 0 0 N N N N N N 34.381 34.048 -6.611 35.066 32.996 -7.822 HAA1 F43 73 F43 HAA2 HAA2 H 0 0 N N N N N N 34.246 32.353 -7.190 34.566 34.323 -7.150 HAA2 F43 74 F43 HHB1 HHB1 H 0 0 N N N N N N 32.424 33.918 -5.847 32.213 35.530 -6.873 HHB1 F43 75 F43 HHB2 HHB2 H 0 0 N N N N N N 32.391 35.569 -6.554 32.499 34.215 -6.083 HHB2 F43 76 F43 H8A1 H8A1 H 0 0 N N N N N N 34.529 36.171 -11.870 33.500 35.844 -12.562 H8A1 F43 77 F43 H8A2 H8A2 H 0 0 N N N N N N 33.083 36.034 -10.926 32.535 35.625 -11.389 H8A2 F43 78 F43 HBA1 HBA1 H 0 0 N N N N N N 36.290 32.411 -8.166 35.635 35.631 -8.744 HBA1 F43 79 F43 HBA2 HBA2 H 0 0 N N N N N N 35.995 34.026 -8.896 36.071 34.342 -9.557 HBA2 F43 80 F43 HDA HDA H 0 1 N N N N N N 37.991 35.411 -6.537 37.816 35.626 -6.386 HDA F43 81 F43 H5B H5B H 0 1 N N N N N N 29.672 35.076 -8.129 29.361 34.758 -7.758 H5B F43 82 F43 H3B H3B H 0 1 N N N N N N 29.152 35.070 -3.101 30.021 35.072 -2.851 H3B F43 83 F43 H8B1 H8B1 H 0 0 N N N N N N 28.006 35.930 -4.793 28.607 37.005 -4.721 H8B1 F43 84 F43 H8B2 H8B2 H 0 0 N N N N N N 28.929 37.468 -4.890 28.222 35.490 -4.435 H8B2 F43 85 F43 H9B1 H9B1 H 0 0 N N N N N N 31.014 37.356 -3.819 30.871 37.587 -4.058 H9B1 F43 86 F43 H9B2 H9B2 H 0 0 N N N N N N 32.241 36.268 -4.550 30.876 37.565 -5.644 H9B2 F43 87 F43 H9B3 H9B3 H 0 0 N N N N N N 31.300 37.389 -5.592 32.040 36.882 -4.844 H9B3 F43 88 F43 HAB1 HAB1 H 0 0 N N N N N N 32.064 34.155 -3.499 32.571 35.375 -3.129 HAB1 F43 89 F43 HAB2 HAB2 H 0 0 N N N N N N 31.509 35.437 -2.369 32.481 33.846 -3.519 HAB2 F43 90 F43 HHC HHC H 0 1 N N N N N N 28.493 32.609 -2.763 29.358 32.707 -2.483 HHC F43 91 F43 HBB1 HBB1 H 0 0 N N N N N N 30.083 33.570 -1.255 31.458 33.490 -1.318 HBB1 F43 92 F43 HBB2 HBB2 H 0 0 N N N N N N 31.107 32.422 -2.181 31.890 34.975 -0.975 HBB2 F43 93 F43 HEB HEB H 0 1 N N N N N N 33.403 32.736 0.344 34.051 31.917 -0.617 HEB F43 94 F43 H2C H2C H 0 1 N N N N N N 28.468 30.197 -2.123 28.375 30.442 -1.983 H2C F43 95 F43 H3C H3C H 0 1 N N N N N N 27.848 28.000 -3.788 27.761 28.413 -3.601 H3C F43 96 F43 H5C1 H5C1 H 0 0 N N N N N N 26.358 31.252 -3.059 26.495 30.517 -4.118 H5C1 F43 97 F43 H5C2 H5C2 H 0 0 N N N N N N 26.331 29.984 -4.331 26.697 31.748 -3.144 H5C2 F43 98 F43 H8C1 H8C1 H 0 0 N N N N N N 30.268 27.267 -3.398 30.108 28.702 -2.012 H8C1 F43 99 F43 H8C2 H8C2 H 0 0 N N N N N N 30.570 28.863 -2.631 30.066 27.497 -3.041 H8C2 F43 100 F43 H8C H8C H 0 1 N N N N N N 24.834 27.856 -2.047 24.662 28.752 -2.003 H8C F43 101 F43 H9C1 H9C1 H 0 0 N N N N N N 28.834 28.402 -0.954 28.241 26.548 -1.934 H9C1 F43 102 F43 H9C2 H9C2 H 0 0 N N N N N N 28.485 26.822 -1.734 28.142 27.792 -0.958 H9C2 F43 103 F43 HBC HBC H 0 1 N N N N N N 32.058 26.519 -0.261 30.037 26.873 1.228 HBC F43 104 F43 H5D1 H5D1 H 0 0 N N N N N N 31.336 25.424 -8.365 29.727 26.513 -8.622 H5D1 F43 105 F43 H5D2 H5D2 H 0 0 N N N N N N 29.826 26.352 -8.656 30.792 25.415 -8.283 H5D2 F43 106 F43 H6D1 H6D1 H 0 0 N N N N N N 29.455 24.846 -6.783 29.979 25.086 -6.181 H6D1 F43 107 F43 H6D2 H6D2 H 0 0 N N N N N N 30.955 25.412 -5.972 28.678 25.164 -7.111 H6D2 F43 108 F43 H2D H2D H 0 1 N N N N N N 32.318 27.261 -7.161 31.912 26.859 -6.814 H2D F43 109 F43 H9D1 H9D1 H 0 0 N N N N N N 33.892 27.675 -8.735 33.995 28.038 -9.421 H9D1 F43 110 F43 H9D2 H9D2 H 0 0 N N N N N N 33.543 28.578 -10.248 33.990 27.319 -8.020 H9D2 F43 111 F43 H3D H3D H 0 1 N N N N N N 31.072 28.143 -9.767 31.603 27.829 -9.446 H3D F43 112 F43 HCD HCD H 0 1 N N N N N N 34.022 24.989 -10.894 33.519 24.314 -9.469 HCD F43 113 # 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 F43 NI NA SING N N 1 Y N F43 NI NB SING N N 2 Y N F43 NI NC SING N N 3 Y N F43 NI ND SING N N 4 Y N F43 NA C1A DOUB N N 5 N N F43 NA C4A SING N N 6 N N F43 CHA C1A SING N N 7 N N F43 CHA C4D SING N N 8 N N F43 C1A C2A SING N N 9 N N F43 C2A C3A SING N N 10 N N F43 C2A C5A SING N N 11 N N F43 C2A C9A SING N N 12 N N F43 C3A C4A SING N N 13 N N F43 C3A CAA SING N N 14 N N F43 C4A CHB SING N N 15 N N F43 C5A C6A SING N N 16 N N F43 C6A O7A DOUB N N 17 N N F43 C6A N8A SING N N 18 N N F43 CAA CBA SING N N 19 N N F43 CBA CCA SING N N 20 N N F43 CCA ODA SING N N 21 N N F43 CCA OEA DOUB N N 22 N N F43 NB C1B SING N N 23 N N F43 NB C4B DOUB N N 24 N N F43 CHB C1B SING N N 25 N N F43 C1B C2B SING N N 26 N N F43 C1B N5B SING N N 27 N N F43 C2B C3B SING N N 28 N N F43 C2B C8B SING N N 29 N N F43 C2B C9B SING N N 30 N N F43 C3B C4B SING N N 31 N N F43 C3B CAB SING N N 32 N N F43 C4B CHC SING N N 33 N N F43 N5B C6B SING N N 34 N N F43 C6B O7B DOUB N N 35 N N F43 C6B C8B SING N N 36 N N F43 CAB CBB SING N N 37 N N F43 CBB CCB SING N N 38 N N F43 CCB ODB DOUB N N 39 N N F43 CCB OEB SING N N 40 N N F43 NC C1C SING N N 41 N N F43 NC C4C SING N N 42 N N F43 CHC C1C DOUB N N 43 N N F43 C1C C2C SING N N 44 N N F43 C2C C3C SING N N 45 N N F43 C2C C5C SING N N 46 N N F43 C3C C4C SING N N 47 N N F43 C3C C8C SING N N 48 N N F43 C4C CHD DOUB N N 49 N N F43 C5C C6C SING N N 50 N N F43 C6C O7C DOUB N N 51 N N F43 C6C O8C SING N N 52 N N F43 C8C C9C SING N N 53 N N F43 C9C CAC SING N N 54 N N F43 CAC OBC SING N N 55 N N F43 CAC OCC DOUB N N 56 N N F43 ND C1D DOUB N N 57 N N F43 ND C4D SING N N 58 N N F43 CHD C7D SING N N 59 N N F43 CHD C1D SING N N 60 N N F43 C5D C6D SING N N 61 N N F43 C5D C2D SING N N 62 N N F43 C6D C7D SING N N 63 N N F43 C7D O8D DOUB N N 64 N N F43 C9D CAD SING N N 65 N N F43 C9D C3D SING N N 66 N N F43 CAD OBD DOUB N N 67 N N F43 CAD OCD SING N N 68 N N F43 C1D C2D SING N N 69 N N F43 C2D C3D SING N N 70 N N F43 C3D C4D SING N N 71 N N F43 C4A H4A SING N N 72 N N F43 CHA HHA1 SING N N 73 N N F43 CHA HHA2 SING N N 74 N N F43 C4D H4D SING N N 75 N N F43 C3A H3A SING N N 76 N N F43 C5A H5A1 SING N N 77 N N F43 C5A H5A2 SING N N 78 N N F43 C9A H9A1 SING N N 79 N N F43 C9A H9A2 SING N N 80 N N F43 C9A H9A3 SING N N 81 N N F43 CAA HAA1 SING N N 82 N N F43 CAA HAA2 SING N N 83 N N F43 CHB HHB1 SING N N 84 N N F43 CHB HHB2 SING N N 85 N N F43 N8A H8A1 SING N N 86 N N F43 N8A H8A2 SING N N 87 N N F43 CBA HBA1 SING N N 88 N N F43 CBA HBA2 SING N N 89 N N F43 ODA HDA SING N N 90 N N F43 N5B H5B SING N N 91 N N F43 C3B H3B SING N N 92 N N F43 C8B H8B1 SING N N 93 N N F43 C8B H8B2 SING N N 94 N N F43 C9B H9B1 SING N N 95 N N F43 C9B H9B2 SING N N 96 N N F43 C9B H9B3 SING N N 97 N N F43 CAB HAB1 SING N N 98 N N F43 CAB HAB2 SING N N 99 N N F43 CHC HHC SING N N 100 N N F43 CBB HBB1 SING N N 101 N N F43 CBB HBB2 SING N N 102 N N F43 OEB HEB SING N N 103 N N F43 C2C H2C SING N N 104 N N F43 C3C H3C SING N N 105 N N F43 C5C H5C1 SING N N 106 N N F43 C5C H5C2 SING N N 107 N N F43 C8C H8C1 SING N N 108 N N F43 C8C H8C2 SING N N 109 N N F43 O8C H8C SING N N 110 N N F43 C9C H9C1 SING N N 111 N N F43 C9C H9C2 SING N N 112 N N F43 OBC HBC SING N N 113 N N F43 C5D H5D1 SING N N 114 N N F43 C5D H5D2 SING N N 115 N N F43 C6D H6D1 SING N N 116 N N F43 C6D H6D2 SING N N 117 N N F43 C2D H2D SING N N 118 N N F43 C9D H9D1 SING N N 119 N N F43 C9D H9D2 SING N N 120 N N F43 C3D H3D SING N N 121 N N F43 OCD HCD SING N N 122 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 F43 InChI InChI 1.03 "InChI=1S/C42H52N6O13.Ni/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27;/h13,18-23,25,27H,3-12,14-17H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61);/q;+2/p-1/t18-,19-,20-,21-,22+,23+,25+,27-,40-,41-,42-;/m0./s1" F43 InChIKey InChI 1.03 XLFIRMYGVLUNOY-SXMZNAGASA-M F43 SMILES_CANONICAL CACTVS 3.385 "C[C@]1(CC(N)=O)[C@H](CCC(O)=O)[C@@H]2C[C@]34NC(=O)C[C@@]3(C)[C@H](CCC(O)=O)C5=N4|[Ni+]|67|N2=C1C[C@H]8N|6=C9[C@@H](CCC(=O)C9=C%10[C@@H](CCC(O)=O)[C@H](CC(O)=O)C(=C5)[N@@]7%10)[C@@H]8CC(O)=O" F43 SMILES CACTVS 3.385 "C[C]1(CC(N)=O)[CH](CCC(O)=O)[CH]2C[C]34NC(=O)C[C]3(C)[CH](CCC(O)=O)C5=N4|[Ni+]|67|N2=C1C[CH]8N|6=C9[CH](CCC(=O)C9=C%10[CH](CCC(O)=O)[CH](CC(O)=O)C(=C5)[N]7%10)[CH]8CC(O)=O" F43 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O" F43 SMILES "OpenEye OEToolkits" 1.7.6 "CC12CC(=O)NC13CC4C(C(C5=[N]4[Ni+]67[N]3=C(C2CCC(=O)O)C=C8N6C(=C9C(=O)CCC1C9=[N]7C(C5)C1CC(=O)O)C(C8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O" # 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 F43 NI 6 octahedral octahedral OCT MetalCoord 1 F43 NI 6 octahedron octahedral OCT FindGeo # 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 F43 NI "@OCT{Ni,N,N,N,N,O,S}" MetalCoord 2 1 F43 NI "@OCT{Ni,N,N,N,N,O,O}" MetalCoord # _pdbx_chem_comp_pcm.pcm_id 1 _pdbx_chem_comp_pcm.comp_id F43 _pdbx_chem_comp_pcm.modified_residue_id GLN _pdbx_chem_comp_pcm.type None _pdbx_chem_comp_pcm.category "Metal coordination" _pdbx_chem_comp_pcm.polypeptide_position "Any position" _pdbx_chem_comp_pcm.comp_id_linking_atom NI _pdbx_chem_comp_pcm.modified_residue_id_linking_atom OE1 _pdbx_chem_comp_pcm.uniprot_specific_ptm_accession ? _pdbx_chem_comp_pcm.uniprot_generic_ptm_accession ? _pdbx_chem_comp_pcm.position "Amino-acid side chain" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site F43 "Create component" 1999-07-08 EBI F43 "Other modification" 2017-02-07 EBI F43 "Other modification" 2026-07-17 RCSB F43 "Other modification" 2026-07-31 RCSB F43 "Other modification" 2026-09-16 RCSB #