data_CWO # _chem_comp.id CWO _chem_comp.name "Co(II)-substituted Wells-Dawson" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "Co H2 O61 P2 W17" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge ? _chem_comp.pdbx_initial_date 2018-10-19 _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 4222.120 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ? _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag Y _chem_comp.pdbx_ideal_coordinates_details MetalCoord _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 6HY4 _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI _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_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 CWO O1 O1 O 0 1 N N N N N N 21.045 22.764 18.338 0.135 0.425 -2.475 O1 CWO 1 CWO O10 O2 O -1 1 N N N N N N 22.760 20.828 18.349 2.306 0.545 -1.162 O10 CWO 2 CWO O11 O3 O -1 1 N N N N N N 20.903 20.909 20.025 1.360 2.637 -2.269 O11 CWO 3 CWO O12 O4 O -2 1 N N N N N N 23.323 23.015 22.495 -0.742 3.135 1.132 O12 CWO 4 CWO O13 O5 O -2 1 N N N N N N 26.691 22.186 18.781 1.795 -0.743 2.663 O13 CWO 5 CWO O14 O6 O -2 1 N N N N N N 26.003 25.515 20.481 -1.600 -0.075 2.986 O14 CWO 6 CWO O15 O7 O -2 1 N N N N N N 18.971 23.140 20.310 -1.067 2.442 -3.519 O15 CWO 7 CWO O16 O8 O -2 1 N N N N N N 23.459 25.213 20.937 -2.089 0.941 0.766 O16 CWO 8 CWO O17 O9 O -2 1 N N N N N N 25.608 27.088 14.634 -1.422 -5.395 0.770 O17 CWO 9 CWO O18 O10 O -2 1 N N N N N N 21.765 25.232 22.962 -2.954 3.100 0.098 O18 CWO 10 CWO O19 O11 O -2 1 N N N N N N 18.290 25.609 19.445 -3.059 1.028 -3.771 O19 CWO 11 CWO O2 O12 O -2 1 N N N N N N 20.893 24.854 20.336 -2.203 1.525 -1.569 O2 CWO 12 CWO O20 O13 O -2 1 N N N N N N 22.804 18.725 20.163 3.586 2.781 -0.749 O20 CWO 13 CWO O21 O14 O -2 1 N N N N N N 21.479 26.070 15.374 -1.681 -3.074 -2.525 O21 CWO 14 CWO O22 O15 O -2 1 N N N N N N 25.532 29.177 16.547 -3.667 -4.551 1.783 O22 CWO 15 CWO O23 O16 O -2 1 N N N N N N 24.837 20.461 20.296 2.459 1.801 1.207 O23 CWO 16 CWO O24 O17 O -2 1 N N N N N N 25.306 17.878 19.426 4.892 1.621 0.938 O24 CWO 17 CWO O25 O18 O -2 1 N N N N N N 18.411 20.470 20.422 0.983 3.527 -4.163 O25 CWO 18 CWO O26 O19 O -2 1 N N N N N N 20.699 22.893 22.122 -1.037 3.545 -1.308 O26 CWO 19 CWO O27 O20 O -2 1 N N N N N N 21.732 17.965 22.692 3.286 5.246 -0.927 O27 CWO 20 CWO O28 O21 O -1 1 N N N N N N 24.729 24.398 18.553 -0.552 -0.939 1.143 O28 CWO 21 CWO O29 O22 O -1 1 N N N N N N 25.466 25.141 16.310 -0.637 -3.578 0.436 O29 CWO 22 CWO O2L O23 O -2 1 N N N N N N 20.936 20.937 16.075 2.329 -0.798 -3.562 O2L CWO 23 CWO O3 O24 O -2 1 N N N N N N 27.980 23.578 20.909 0.397 0.324 4.288 O3 CWO 24 CWO O30 O25 O -2 1 N N N N N N 25.374 27.145 18.408 -2.577 -2.306 1.938 O30 CWO 25 CWO O31 O26 O 0 1 N N N N N N 22.990 24.544 16.649 -0.383 -2.028 -0.792 O31 CWO 26 CWO O32 O27 O -2 1 N N N N N N 21.256 28.127 17.348 -3.739 -2.176 -1.905 O32 CWO 27 CWO O33 O28 O -2 1 N N N N N N 24.449 27.703 20.924 -3.861 -0.204 2.042 O33 CWO 28 CWO O34 O29 O -2 1 N N N N N N 22.870 26.585 18.815 -2.916 -0.986 -0.079 O34 CWO 29 CWO O35 O30 O -2 1 N N N N N N 18.048 21.981 22.741 -1.058 4.890 -3.416 O35 CWO 30 CWO O36 O31 O -2 1 N N N N N N 27.388 26.922 16.673 -1.471 -4.183 2.897 O36 CWO 31 CWO O3L O32 O -2 1 N N N N N N 28.225 20.491 17.127 4.050 -1.548 2.681 O3L CWO 32 CWO O4 O33 O -2 1 N N N N N N 23.655 27.117 16.394 -2.663 -3.389 -0.261 O4 CWO 33 CWO O4L O34 O -2 1 N N N N N N 23.620 25.244 14.140 -0.168 -4.668 -1.358 O4L CWO 34 CWO O5 O35 O -2 1 N N N N N N 20.520 25.481 17.902 -2.062 -0.630 -2.254 O5 CWO 35 CWO O5L O36 O -2 1 N N N N N N 20.537 23.496 15.563 0.346 -1.864 -3.313 O5L CWO 36 CWO O6 O37 O -2 1 N N N N N N 18.710 23.541 17.623 -0.928 0.021 -4.420 O6 CWO 37 CWO O7 O38 O -2 1 N N N N N N 25.408 20.073 17.853 3.375 -0.273 0.883 O7 CWO 38 CWO O7L O39 O -2 1 N N N N N N 25.349 22.928 20.994 0.461 1.220 2.165 O7L CWO 39 CWO O8 O40 O -2 1 N N N N N N 27.585 24.687 18.452 -0.132 -1.833 3.669 O8 CWO 40 CWO O8L O41 O -2 1 N N N N N N 27.538 22.917 16.387 2.356 -3.107 2.575 O8L CWO 41 CWO O9 O42 O -2 1 N N N N N N 20.181 18.408 20.470 3.132 3.727 -2.957 O9 CWO 42 CWO O9L O43 O -2 1 N N N N N N 20.141 20.216 22.394 1.049 4.795 -2.044 O9L CWO 43 CWO P1 P1 P 0 1 N N N N N N 21.885 21.779 19.164 1.004 1.316 -1.536 P1 CWO 44 CWO P2 P2 P 0 1 N N N N N N 24.444 24.151 17.089 0.142 -2.265 0.677 P2 CWO 45 CWO W1 W1 W ? 1 N N N N N N 22.014 26.620 17.135 -2.147 -2.025 -1.218 W1 CWO 46 CWO W1L W2 W ? 1 N N N N N N 21.984 24.429 14.500 0.021 -3.136 -2.172 W1L CWO 47 CWO W2 W3 W ? 1 N N N N N N 24.329 19.240 19.056 3.506 1.201 -0.026 W2 CWO 48 CWO W2L W4 W ? 1 N N N N N N 24.347 21.610 21.627 0.901 2.535 1.120 W2L CWO 49 CWO W3 W5 W ? 1 N N N N N N 19.549 24.479 19.099 -1.514 0.844 -2.993 W3 CWO 50 CWO W3L W6 W ? 1 N N N N N N 19.605 22.225 16.535 0.733 -0.307 -3.981 W3L CWO 51 CWO W4 W7 W ? 1 N N N N N N 24.471 26.359 19.851 -2.276 -0.649 1.480 W4 CWO 52 CWO W4L W8 W ? 1 N N N N N N 24.455 21.716 14.543 2.668 -3.184 -0.693 W4L CWO 53 CWO W5 W9 W ? 1 N N N N N N 26.712 23.823 19.780 0.099 -0.385 2.727 W5 CWO 54 CWO W5L W10 W ? 1 N N N N N N 26.754 21.411 17.059 2.720 -1.728 1.574 W5L CWO 55 CWO W6 W11 W ? 1 N N N N N N 22.056 24.199 21.635 -1.459 2.261 -0.202 W6 CWO 56 CWO W6L W12 W ? 1 N N N N N N 22.049 19.471 16.560 3.396 -0.229 -2.337 W6L CWO 57 CWO W7 W13 W ? 1 N N N N N N 21.593 19.206 21.539 2.364 3.844 -1.388 W7 CWO 58 CWO W8 W14 W ? 1 N N N N N N 19.291 21.752 21.602 -0.053 3.634 -2.751 W8 CWO 59 CWO W8L W15 W ? 1 N N N N N N 19.351 19.396 19.080 2.299 2.429 -3.784 W8L CWO 60 CWO W9 W16 W ? 1 N N N N N N 25.621 27.478 16.532 -2.131 -3.879 1.317 W9 CWO 61 CWO W9L W17 W ? 1 N N N N N N 25.626 25.243 14.015 0.241 -5.095 0.274 W9L CWO 62 CWO CO1 CO1 CO ? 0 N N R N N N 27.874 24.898 16.483 0.412 -3.585 2.829 CO1 CWO 63 CWO OAL O44 O -1 1 N N N N N N 22.759 22.495 20.155 0.202 1.624 -0.237 OAL CWO 64 CWO OBL O45 O -2 1 N N N N N N 23.445 18.521 17.501 4.549 0.423 -1.195 OBL CWO 65 CWO OCL O46 O -2 1 N N N N N N 26.020 20.943 15.307 3.729 -2.807 0.643 OCL CWO 66 CWO ODL O47 O -2 1 N N N N N N 19.092 20.847 17.798 1.374 1.191 -4.592 ODL CWO 67 CWO OEL O48 O -2 1 N N N N N N 23.399 20.382 15.525 3.287 -1.816 -1.597 OEL CWO 68 CWO OFL O49 O -2 1 N N N N N N 21.607 18.351 15.358 4.726 -0.838 -3.280 OFL CWO 69 CWO OGL O50 O -2 1 N N N N N N 18.396 21.953 15.332 0.969 -1.037 -5.543 OGL CWO 70 CWO OHL O51 O -2 1 N N N N N N 22.897 20.418 22.100 1.548 3.825 0.149 OHL CWO 71 CWO OIL O52 O -2 1 N N N N N N 25.675 25.396 12.335 0.622 -6.750 -0.104 OIL CWO 72 CWO OJL O53 O -2 1 N N N N N N 25.324 21.141 22.945 1.261 3.480 2.536 OJL CWO 73 CWO OKL O54 O -2 1 N N N N N N 20.763 18.932 17.894 3.475 1.231 -3.292 OKL CWO 74 CWO OLL O55 O -1 1 N N N N N N 24.764 22.717 16.673 1.616 -2.050 0.189 OLL CWO 75 CWO OML O56 O -2 1 N N N N N N 25.363 23.311 14.111 1.890 -4.596 -0.026 OML CWO 76 CWO ONL O57 O -2 1 N N N N N N 21.225 24.560 13.019 0.095 -4.141 -3.591 ONL CWO 77 CWO OOL O58 O -2 1 N N N N N N 24.513 21.056 12.991 3.912 -4.190 -1.376 OOL CWO 78 CWO OPL O59 O -2 1 N N N N N N 22.825 22.725 14.398 1.728 -3.366 -2.121 OPL CWO 79 CWO OQL O60 O -2 1 N N N N N N 18.160 18.225 18.651 3.158 2.730 -5.268 OQL CWO 80 CWO ORL O61 O -2 1 N N N N N N 27.387 24.976 14.481 0.735 -5.314 1.926 ORL CWO 81 # 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 CWO O1 P1 DOUB N N 1 N N CWO O1 W3 SING N N 2 Y N CWO O1 W3L SING N N 3 Y N CWO O10 P1 SING N N 4 N N CWO O10 W2 SING N N 5 Y N CWO O10 W6L SING N N 6 Y N CWO O11 P1 SING N N 7 N N CWO O11 W7 SING N N 8 Y N CWO O11 W8 SING N N 9 Y N CWO O11 W8L SING N N 10 Y N CWO O12 W2L SING N N 11 Y N CWO O12 W6 SING N N 12 Y N CWO O13 W5 SING N N 13 Y N CWO O13 W5L SING N N 14 Y N CWO O14 W4 SING N N 15 Y N CWO O14 W5 SING N N 16 Y N CWO O15 W3 SING N N 17 Y N CWO O15 W8 SING N N 18 Y N CWO O16 W4 SING N N 19 Y N CWO O16 W6 SING N N 20 Y N CWO O17 W9 SING N N 21 Y N CWO O17 W9L SING N N 22 Y N CWO O18 W6 SING N N 23 Y N CWO O19 W3 SING N N 24 Y N CWO O2 W3 SING N N 25 Y N CWO O2 W6 SING N N 26 Y N CWO O20 W2 SING N N 27 Y N CWO O20 W7 SING N N 28 Y N CWO O21 W1 SING N N 29 Y N CWO O21 W1L SING N N 30 Y N CWO O22 W9 SING N N 31 Y N CWO O23 W2 SING N N 32 Y N CWO O23 W2L SING N N 33 Y N CWO O24 W2 SING N N 34 Y N CWO O25 W8 SING N N 35 Y N CWO O25 W8L SING N N 36 Y N CWO O26 W6 SING N N 37 Y N CWO O26 W8 SING N N 38 Y N CWO O27 W7 SING N N 39 Y N CWO O28 P2 SING N N 40 N N CWO O28 W4 SING N N 41 Y N CWO O28 W5 SING N N 42 Y N CWO O29 P2 SING N N 43 N N CWO O29 W9 SING N N 44 Y N CWO O29 W9L SING N N 45 Y N CWO O2L W3L SING N N 46 Y N CWO O2L W6L SING N N 47 Y N CWO O3 W5 SING N N 48 Y N CWO O30 W4 SING N N 49 Y N CWO O30 W9 SING N N 50 Y N CWO O31 P2 DOUB N N 51 N N CWO O31 W1 SING N N 52 Y N CWO O31 W1L SING N N 53 Y N CWO O32 W1 SING N N 54 Y N CWO O33 W4 SING N N 55 Y N CWO O34 W1 SING N N 56 Y N CWO O34 W4 SING N N 57 Y N CWO O35 W8 SING N N 58 Y N CWO O36 W9 SING N N 59 Y N CWO O36 CO1 SING N N 60 Y N CWO O3L W5L SING N N 61 Y N CWO O4 W1 SING N N 62 Y N CWO O4 W9 SING N N 63 Y N CWO O4L W1L SING N N 64 Y N CWO O4L W9L SING N N 65 Y N CWO O5 W1 SING N N 66 Y N CWO O5 W3 SING N N 67 Y N CWO O5L W1L SING N N 68 Y N CWO O5L W3L SING N N 69 Y N CWO O6 W3 SING N N 70 Y N CWO O6 W3L SING N N 71 Y N CWO O7 W2 SING N N 72 Y N CWO O7 W5L SING N N 73 Y N CWO O7L W2L SING N N 74 Y N CWO O7L W5 SING N N 75 Y N CWO O8 W5 SING N N 76 Y N CWO O8 CO1 SING N N 77 Y N CWO O8L W5L SING N N 78 Y N CWO O8L CO1 SING N N 79 Y N CWO O9 W7 SING N N 80 Y N CWO O9 W8L SING N N 81 Y N CWO O9L W7 SING N N 82 Y N CWO O9L W8 SING N N 83 Y N CWO P1 OAL SING N N 84 N N CWO P2 OLL SING N N 85 N N CWO W1L ONL SING N N 86 Y N CWO W1L OPL SING N N 87 Y N CWO W2 OBL SING N N 88 Y N CWO W2L OAL SING N N 89 Y N CWO W2L OHL SING N N 90 Y N CWO W2L OJL SING N N 91 Y N CWO W3L ODL SING N N 92 Y N CWO W3L OGL SING N N 93 Y N CWO W4L OCL SING N N 94 Y N CWO W4L OEL SING N N 95 Y N CWO W4L OLL SING N N 96 Y N CWO W4L OML SING N N 97 Y N CWO W4L OOL SING N N 98 Y N CWO W4L OPL SING N N 99 Y N CWO W5L OCL SING N N 100 Y N CWO W5L OLL SING N N 101 Y N CWO W6 OAL SING N N 102 Y N CWO W6L OBL SING N N 103 Y N CWO W6L OEL SING N N 104 Y N CWO W6L OFL SING N N 105 Y N CWO W6L OKL SING N N 106 Y N CWO W7 OHL SING N N 107 Y N CWO W8L ODL SING N N 108 Y N CWO W8L OKL SING N N 109 Y N CWO W8L OQL SING N N 110 Y N CWO W9L OIL SING N N 111 Y N CWO W9L OML SING N N 112 Y N CWO W9L ORL SING N N 113 Y N CWO CO1 ORL SING N N 114 Y 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 CWO InChI InChI 1.03 "InChI=1S/Co.2HO4P.17H2O.36O.17W/c;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;2*5H;17*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;17*+1/p-17" CWO InChIKey InChI 1.03 MRXRADKQNKKZNK-UHFFFAOYSA-A CWO SMILES_CANONICAL CACTVS 3.385 "O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23O[W]456O[Co@@]78O[W]9%10O[W]%11%12O[W](O2)(O7)(O[W]%13%14O[W]%15(O4)O[W]%16%17%18O[PH]%19%20O[W]%21(O%11)(O%13)O[W]%22%23(O%19)O[W](O[W]%24(O[W](O[W]1(O8)(O9)O%24)(O5)O%16)O[W](O3)(O%10)(O%12)O%22)(O%17)O[W]%25%26(O%18)O[W]%27(O%15)(O%14)O[W](O%21)(O%23)(O%25)[O]%20%26%27)O6" CWO SMILES CACTVS 3.385 "O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23O[W]456O[Co]78O[W]9%10O[W]%11%12O[W](O2)(O7)(O[W]%13%14O[W]%15(O4)O[W]%16%17%18O[PH]%19%20O[W]%21(O%11)(O%13)O[W]%22%23(O%19)O[W](O[W]%24(O[W](O[W]1(O8)(O9)O%24)(O5)O%16)O[W](O3)(O%10)(O%12)O%22)(O%17)O[W]%25%26(O%18)O[W]%27(O%15)(O%14)O[W](O%21)(O%23)(O%25)[O]%20%26%27)O6" CWO SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "[O][W]1234O[Co]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]" CWO SMILES "OpenEye OEToolkits" 2.0.6 "[O][W]1234O[Co]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[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 CWO CO1 5 square-pyramid "square pyramidal" SQP MetalCoord 2 CWO W1 6 octahedral octahedral OCT MetalCoord 3 CWO W1L 6 octahedral octahedral OCT MetalCoord 4 CWO W2 6 octahedral octahedral OCT MetalCoord 5 CWO W2L 6 octahedral octahedral OCT MetalCoord 6 CWO W3 6 octahedral octahedral OCT MetalCoord 7 CWO W3L 6 octahedral octahedral OCT MetalCoord 8 CWO W4 6 octahedral octahedral OCT MetalCoord 9 CWO W4L 6 octahedral octahedral OCT MetalCoord 10 CWO W5 6 octahedral octahedral OCT MetalCoord 11 CWO W5L 6 octahedral octahedral OCT MetalCoord 12 CWO W6 6 octahedron octahedral OCT FindGeo 12 CWO W6 6 octahedral octahedral OCT MetalCoord 13 CWO W6L 6 octahedron octahedral OCT FindGeo 13 CWO W6L 6 octahedral octahedral OCT MetalCoord 14 CWO W7 6 octahedral octahedral OCT MetalCoord 15 CWO W8 6 octahedral octahedral OCT MetalCoord 16 CWO W8L 6 octahedral octahedral OCT MetalCoord 17 CWO W9 6 octahedral octahedral OCT MetalCoord 18 CWO W9L 6 octahedral octahedral OCT MetalCoord # _pdbx_chem_comp_pcm.pcm_id 1 _pdbx_chem_comp_pcm.comp_id CWO _pdbx_chem_comp_pcm.modified_residue_id ARG _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 W4L _pdbx_chem_comp_pcm.modified_residue_id_linking_atom NH2 _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_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 CWO CO1 "@SQP{Co,O,O,O,O,O}" MetalCoord 2 10 CWO W5 "@OCT{W,O,O,O,O,O,O}" MetalCoord 3 11 CWO W5L "@OCT{W,O,O,O,O,O,O}" MetalCoord 4 12 CWO W6 "@OCT{W,O,O,O,O,O,O}" MetalCoord 5 13 CWO W6L "@OCT{W,O,O,O,O,O,O}" MetalCoord 6 14 CWO W7 "@OCT{W,O,O,O,O,O,O}" MetalCoord 7 15 CWO W8 "@OCT{W,O,O,O,O,O,O}" MetalCoord 8 16 CWO W8L "@OCT{W,O,O,O,O,O,O}" MetalCoord 9 17 CWO W9 "@OCT{W,O,O,O,O,O,O}" MetalCoord 10 18 CWO W9L "@OCT{W,O,O,O,O,O,O}" MetalCoord 11 2 CWO W1 "@OCT{W,O,O,O,O,O,O}" MetalCoord 12 3 CWO W1L "@OCT{W,O,O,O,O,O,O}" MetalCoord 13 4 CWO W2 "@OCT{W,O,O,O,O,O,O}" MetalCoord 14 5 CWO W2L "@OCT{W,O,O,O,O,O,O}" MetalCoord 15 6 CWO W3 "@OCT{W,O,O,O,O,O,O}" MetalCoord 16 7 CWO W3L "@OCT{W,O,O,O,O,O,O}" MetalCoord 17 8 CWO W4 "@OCT{W,O,O,O,O,O,O}" MetalCoord 18 9 CWO W4L "@OCT{W,O,O,O,O,O,O}" MetalCoord # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site CWO "Create component" 2018-10-19 EBI CWO "Initial release" 2019-10-30 RCSB CWO "Other modification" 2026-07-08 RCSB CWO "Other modification" 2026-07-17 RCSB CWO "Other modification" 2026-07-31 RCSB CWO "Other modification" 2026-09-16 RCSB #