data_0FQ # _chem_comp.id 0FQ _chem_comp.name "phenacyl coenzyme A" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C29 H42 N7 O17 P3 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2011-06-10 _chem_comp.pdbx_modified_date 2014-07-25 _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 885.667 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 0FQ _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 3SCA _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # 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.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 0FQ CB CB C 0 1 N N N 9.606 -20.771 -27.317 -13.376 -1.730 0.239 CB 0FQ 1 0FQ N1A N1A N 0 1 Y N N -2.644 -23.337 -23.805 7.343 -7.687 -0.497 N1A 0FQ 2 0FQ O1A O1A O 0 1 N N N -0.646 -30.653 -17.570 5.597 2.795 -2.233 O1A 0FQ 3 0FQ P1A P1A P 0 1 N N N 0.721 -29.755 -17.610 5.099 2.740 -0.841 P1A 0FQ 4 0FQ C1B C1B C 0 1 N N N 10.392 -19.487 -27.688 -14.554 -2.249 1.022 C1B 0FQ 5 0FQ O1B O1B O 0 1 N N N 11.281 -19.146 -26.976 -14.674 -1.967 2.195 O1B 0FQ 6 0FQ C1D C1D C 0 1 N N R -1.291 -25.314 -19.162 7.259 -2.569 0.384 C1D 0FQ 7 0FQ S1P S1P S 0 1 N N N 7.963 -20.668 -26.608 -12.326 -0.723 1.322 S1P 0FQ 8 0FQ C2A C2A C 0 1 Y N N -2.267 -22.634 -22.656 7.413 -7.047 0.655 C2A 0FQ 9 0FQ O2A O2A O 0 1 N N N 1.369 -29.698 -16.312 5.638 4.020 -0.026 O2A 0FQ 10 0FQ P2A P2A P 0 1 N N N 1.546 -30.611 -20.275 2.377 3.532 -1.707 P2A 0FQ 11 0FQ C2B C2B C 0 1 Y N N 10.095 -18.681 -28.993 -15.560 -3.097 0.363 C2B 0FQ 12 0FQ C2D C2D C 0 1 N N R -1.922 -26.218 -18.143 8.721 -2.164 0.673 C2D 0FQ 13 0FQ O2D O2D O 0 1 N N N -3.318 -26.047 -17.985 9.190 -2.798 1.865 O2D 0FQ 14 0FQ C2P C2P C 0 1 N N N 8.328 -20.181 -24.866 -10.986 -0.197 0.219 C2P 0FQ 15 0FQ N3A N3A N 0 1 Y N N -1.918 -23.372 -21.487 7.380 -5.733 0.737 N3A 0FQ 16 0FQ O3A O3A O 0 1 N N N 1.871 -30.299 -18.686 3.489 2.747 -0.847 O3A 0FQ 17 0FQ C3B C3B C 0 1 Y N N 10.937 -17.577 -29.317 -16.654 -3.581 1.086 C3B 0FQ 18 0FQ C3D C3D C 0 1 N N S -1.055 -25.786 -17.021 8.656 -0.632 0.864 C3D 0FQ 19 0FQ O3D O3D O 0 1 N N N -1.445 -24.537 -16.445 9.082 -0.273 2.180 O3D 0FQ 20 0FQ P3D P3D P 0 1 N N N -2.282 -24.619 -15.013 10.318 0.720 2.461 P3D 0FQ 21 0FQ C3P C3P C 0 1 N N N 9.136 -21.243 -24.072 -9.998 0.676 0.995 C3P 0FQ 22 0FQ C4A C4A C 0 1 Y N N -1.957 -24.765 -21.493 7.273 -4.989 -0.359 C4A 0FQ 23 0FQ O4A O4A O 0 1 N N N 2.586 -31.739 -20.767 2.810 4.932 -1.912 O4A 0FQ 24 0FQ C4B C4B C 0 1 Y N N 10.683 -16.777 -30.527 -17.592 -4.376 0.461 C4B 0FQ 25 0FQ C4D C4D C 0 1 N N R 0.422 -25.864 -17.659 7.162 -0.293 0.668 C4D 0FQ 26 0FQ O4D O4D O 0 1 N N N 0.109 -25.418 -19.042 6.641 -1.372 -0.138 O4D 0FQ 27 0FQ N4P N4P N 0 1 N N N 8.451 -22.551 -23.984 -8.916 1.100 0.104 N4P 0FQ 28 0FQ C5A C5A C 0 1 Y N N -2.348 -25.493 -22.676 7.196 -5.623 -1.610 C5A 0FQ 29 0FQ O5A O5A O 0 1 N N N 0.196 -31.067 -20.532 2.196 2.811 -3.135 O5A 0FQ 30 0FQ C5B C5B C 0 1 Y N N 9.561 -17.129 -31.423 -17.452 -4.695 -0.878 C5B 0FQ 31 0FQ C5D C5D C 0 1 N N N 1.197 -27.187 -17.606 7.010 1.041 -0.066 C5D 0FQ 32 0FQ O5D O5D O 0 1 N N N 0.370 -28.222 -18.078 5.627 1.393 -0.134 O5D 0FQ 33 0FQ C5P C5P C 0 1 N N N 7.247 -22.577 -23.157 -7.924 1.882 0.573 C5P 0FQ 34 0FQ O5P O5P O 0 1 N N N 6.884 -21.601 -22.590 -7.927 2.235 1.734 O5P 0FQ 35 0FQ C6A C6A C 0 1 Y N N -2.693 -24.783 -23.812 7.235 -7.027 -1.646 C6A 0FQ 36 0FQ N6A N6A N 0 1 N N N -3.062 -25.471 -25.041 7.163 -7.707 -2.849 N6A 0FQ 37 0FQ O6A O6A O 0 1 N N N 1.663 -29.154 -21.085 0.975 3.514 -0.915 O6A 0FQ 38 0FQ C6B C6B C 0 1 Y N N 8.695 -18.271 -31.092 -16.372 -4.220 -1.601 C6B 0FQ 39 0FQ C6P C6P C 0 1 N N N 6.417 -23.873 -23.101 -6.810 2.319 -0.344 C6P 0FQ 40 0FQ N7A N7A N 0 1 Y N N -2.289 -26.854 -22.380 7.095 -4.648 -2.546 N7A 0FQ 41 0FQ O7A O7A O 0 1 N N N -3.887 -24.707 -15.403 10.096 1.997 1.748 O7A 0FQ 42 0FQ C7B C7B C 0 1 Y N N 8.932 -19.045 -29.913 -15.429 -3.420 -0.992 C7B 0FQ 43 0FQ C7P C7P C 0 1 N N N 5.936 -24.128 -21.661 -5.823 3.192 0.433 C7P 0FQ 44 0FQ C8A C8A C 0 1 Y N N -1.877 -27.011 -21.043 7.106 -3.485 -1.962 C8A 0FQ 45 0FQ O8A O8A O 0 1 N N N -1.811 -25.976 -14.193 10.431 1.001 4.043 O8A 0FQ 46 0FQ N8P N8P N 0 1 N N N 5.444 -25.477 -21.424 -4.740 3.616 -0.459 N8P 0FQ 47 0FQ N9A N9A N 0 1 Y N N -1.680 -25.683 -20.515 7.214 -3.642 -0.613 N9A 0FQ 48 0FQ O9A O9A O 0 1 N N N -1.944 -23.390 -14.290 11.681 0.042 1.938 O9A 0FQ 49 0FQ C9P C9P C 0 1 N N N 4.002 -25.651 -21.406 -3.748 4.398 0.010 C9P 0FQ 50 0FQ O9P O9P O 0 1 N N N 3.298 -24.712 -21.643 -3.799 4.827 1.144 O9P 0FQ 51 0FQ CAP CAP C 0 1 N N R 3.450 -27.088 -21.218 -2.576 4.740 -0.873 CAP 0FQ 52 0FQ OAP OAP O 0 1 N N N 4.473 -27.992 -20.869 -2.867 4.359 -2.219 OAP 0FQ 53 0FQ CBP CBP C 0 1 N N N 2.737 -27.530 -22.514 -1.335 3.988 -0.387 CBP 0FQ 54 0FQ CCP CCP C 0 1 N N N 2.296 -29.005 -22.327 -0.184 4.216 -1.368 CCP 0FQ 55 0FQ CDP CDP C 0 1 N N N 1.462 -26.682 -22.681 -0.936 4.502 0.997 CDP 0FQ 56 0FQ CEP CEP C 0 1 N N N 3.681 -27.442 -23.719 -1.645 2.492 -0.305 CEP 0FQ 57 0FQ HB HB H 0 1 N N N 9.494 -21.336 -28.254 -12.799 -2.569 -0.149 HB 0FQ 58 0FQ HBA HBA H 0 1 N N N 10.222 -21.296 -26.573 -13.732 -1.120 -0.591 HBA 0FQ 59 0FQ H1D H1D H 0 1 N N N -1.630 -24.284 -18.978 6.763 -2.882 1.303 H1D 0FQ 60 0FQ H2A H2A H 0 1 N N N -2.241 -21.554 -22.654 7.500 -7.622 1.565 H2A 0FQ 61 0FQ HO2A HO2A H 0 0 N N N 0.865 -30.201 -15.683 5.349 4.049 0.896 HO2A 0FQ 62 0FQ H2D H2D H 0 1 N N N -1.942 -27.299 -18.345 9.362 -2.419 -0.171 H2D 0FQ 63 0FQ HO2D HO2D H 0 0 N N N -3.493 -25.617 -17.156 9.194 -3.764 1.821 HO2D 0FQ 64 0FQ H2P H2P H 0 1 N N N 8.917 -19.252 -24.889 -10.469 -1.075 -0.169 H2P 0FQ 65 0FQ H2PA H2PA H 0 0 N N N 7.370 -20.025 -24.348 -11.402 0.375 -0.611 H2PA 0FQ 66 0FQ H3B H3B H 0 1 N N N 11.766 -17.326 -28.671 -16.765 -3.333 2.132 H3B 0FQ 67 0FQ H3D H3D H 0 1 N N N -1.126 -26.422 -16.127 9.266 -0.127 0.115 H3D 0FQ 68 0FQ H3P H3P H 0 1 N N N 10.100 -21.393 -24.580 -10.516 1.554 1.382 H3P 0FQ 69 0FQ H3PA H3PA H 0 0 N N N 9.290 -20.865 -23.050 -9.582 0.104 1.825 H3PA 0FQ 70 0FQ H4B H4B H 0 1 N N N 11.316 -15.934 -30.760 -18.438 -4.750 1.019 H4B 0FQ 71 0FQ H4D H4D H 0 1 N N N 1.143 -25.269 -17.080 6.652 -0.255 1.631 H4D 0FQ 72 0FQ HN4P HN4P H 0 0 N N N 8.789 -23.363 -24.459 -8.913 0.818 -0.825 HN4P 0FQ 73 0FQ HO5A HO5A H 0 0 N N N 0.223 -31.928 -20.933 1.913 1.888 -3.077 HO5A 0FQ 74 0FQ H5B H5B H 0 1 N N N 9.378 -16.550 -32.316 -18.190 -5.318 -1.362 H5B 0FQ 75 0FQ H5D H5D H 0 1 N N N 2.095 -27.115 -18.237 7.556 1.816 0.472 H5D 0FQ 76 0FQ H5DA H5DA H 0 0 N N N 1.497 -27.398 -16.569 7.412 0.948 -1.075 H5DA 0FQ 77 0FQ HN6A HN6A H 0 0 N N N -3.243 -24.798 -25.759 7.191 -8.677 -2.861 HN6A 0FQ 78 0FQ HN6B HN6B H 0 0 N N N -2.313 -26.069 -25.326 7.084 -7.214 -3.681 HN6B 0FQ 79 0FQ H6B H6B H 0 1 N N N 7.873 -18.527 -31.745 -16.269 -4.474 -2.645 H6B 0FQ 80 0FQ H6P H6P H 0 1 N N N 5.545 -23.775 -23.764 -6.293 1.441 -0.731 H6P 0FQ 81 0FQ H6PA H6PA H 0 0 N N N 7.039 -24.718 -23.431 -7.226 2.891 -1.174 H6PA 0FQ 82 0FQ H7B H7B H 0 1 N N N 8.292 -19.882 -29.675 -14.586 -3.049 -1.557 H7B 0FQ 83 0FQ H7P H7P H 0 1 N N N 6.786 -23.955 -20.985 -6.340 4.070 0.820 H7P 0FQ 84 0FQ H7PA H7PA H 0 0 N N N 5.115 -23.427 -21.450 -5.407 2.620 1.262 H7PA 0FQ 85 0FQ H8A H8A H 0 1 N N N -1.736 -27.943 -20.516 7.039 -2.535 -2.473 H8A 0FQ 86 0FQ HO8A HO8A H 0 0 N N N -2.553 -26.561 -14.096 11.156 1.593 4.286 HO8A 0FQ 87 0FQ HN8P HN8P H 0 0 N N N 6.067 -26.246 -21.281 -4.738 3.334 -1.387 HN8P 0FQ 88 0FQ HO9A HO9A H 0 0 N N N -2.726 -22.863 -14.178 11.890 -0.801 2.363 HO9A 0FQ 89 0FQ HAP HAP H 0 1 N N N 2.728 -27.087 -20.388 -2.390 5.813 -0.831 HAP 0FQ 90 0FQ HOAP HOAP H 0 0 N N N 4.105 -28.861 -20.761 -3.044 3.415 -2.332 HOAP 0FQ 91 0FQ HCP HCP H 0 1 N N N 3.180 -29.659 -22.368 0.037 5.282 -1.427 HCP 0FQ 92 0FQ HCPA HCPA H 0 0 N N N 1.596 -29.282 -23.129 -0.468 3.850 -2.355 HCPA 0FQ 93 0FQ HDP HDP H 0 1 N N N 0.939 -26.983 -23.601 -1.724 4.269 1.713 HDP 0FQ 94 0FQ HDPA HDPA H 0 0 N N N 0.801 -26.839 -21.816 -0.008 4.023 1.309 HDPA 0FQ 95 0FQ HDPB HDPB H 0 0 N N N 1.735 -25.618 -22.746 -0.790 5.582 0.955 HDPB 0FQ 96 0FQ HEP HEP H 0 1 N N N 3.148 -27.762 -24.627 -1.930 2.125 -1.291 HEP 0FQ 97 0FQ HEPA HEPA H 0 0 N N N 4.023 -26.404 -23.841 -0.762 1.956 0.041 HEPA 0FQ 98 0FQ HEPB HEPB H 0 0 N N N 4.549 -28.097 -23.553 -2.466 2.329 0.394 HEPB 0FQ 99 # 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 0FQ C1B CB SING N N 1 0FQ CB S1P SING N N 2 0FQ CB HB SING N N 3 0FQ CB HBA SING N N 4 0FQ C6A N1A DOUB Y N 5 0FQ N1A C2A SING Y N 6 0FQ P1A O1A DOUB N N 7 0FQ O3A P1A SING N N 8 0FQ O5D P1A SING N N 9 0FQ P1A O2A SING N N 10 0FQ C2B C1B SING N N 11 0FQ C1B O1B DOUB N N 12 0FQ N9A C1D SING N N 13 0FQ C1D O4D SING N N 14 0FQ C1D C2D SING N N 15 0FQ C1D H1D SING N N 16 0FQ S1P C2P SING N N 17 0FQ C2A N3A DOUB Y N 18 0FQ C2A H2A SING N N 19 0FQ O2A HO2A SING N N 20 0FQ O6A P2A SING N N 21 0FQ O4A P2A DOUB N N 22 0FQ O5A P2A SING N N 23 0FQ P2A O3A SING N N 24 0FQ C7B C2B DOUB Y N 25 0FQ C3B C2B SING Y N 26 0FQ C2D O2D SING N N 27 0FQ C2D C3D SING N N 28 0FQ C2D H2D SING N N 29 0FQ O2D HO2D SING N N 30 0FQ C2P C3P SING N N 31 0FQ C2P H2P SING N N 32 0FQ C2P H2PA SING N N 33 0FQ C4A N3A SING Y N 34 0FQ C4B C3B DOUB Y N 35 0FQ C3B H3B SING N N 36 0FQ C4D C3D SING N N 37 0FQ C3D O3D SING N N 38 0FQ C3D H3D SING N N 39 0FQ O3D P3D SING N N 40 0FQ O7A P3D DOUB N N 41 0FQ P3D O9A SING N N 42 0FQ P3D O8A SING N N 43 0FQ C3P N4P SING N N 44 0FQ C3P H3P SING N N 45 0FQ C3P H3PA SING N N 46 0FQ C5A C4A DOUB Y N 47 0FQ C4A N9A SING Y N 48 0FQ C5B C4B SING Y N 49 0FQ C4B H4B SING N N 50 0FQ O4D C4D SING N N 51 0FQ C4D C5D SING N N 52 0FQ C4D H4D SING N N 53 0FQ N4P C5P SING N N 54 0FQ N4P HN4P SING N N 55 0FQ C6A C5A SING Y N 56 0FQ C5A N7A SING Y N 57 0FQ O5A HO5A SING N N 58 0FQ C5B C6B DOUB Y N 59 0FQ C5B H5B SING N N 60 0FQ O5D C5D SING N N 61 0FQ C5D H5D SING N N 62 0FQ C5D H5DA SING N N 63 0FQ C5P C6P SING N N 64 0FQ C5P O5P DOUB N N 65 0FQ N6A C6A SING N N 66 0FQ N6A HN6A SING N N 67 0FQ N6A HN6B SING N N 68 0FQ CCP O6A SING N N 69 0FQ C6B C7B SING Y N 70 0FQ C6B H6B SING N N 71 0FQ C6P C7P SING N N 72 0FQ C6P H6P SING N N 73 0FQ C6P H6PA SING N N 74 0FQ N7A C8A DOUB Y N 75 0FQ C7B H7B SING N N 76 0FQ C7P N8P SING N N 77 0FQ C7P H7P SING N N 78 0FQ C7P H7PA SING N N 79 0FQ C8A N9A SING Y N 80 0FQ C8A H8A SING N N 81 0FQ O8A HO8A SING N N 82 0FQ N8P C9P SING N N 83 0FQ N8P HN8P SING N N 84 0FQ O9A HO9A SING N N 85 0FQ O9P C9P DOUB N N 86 0FQ C9P CAP SING N N 87 0FQ CBP CAP SING N N 88 0FQ CAP OAP SING N N 89 0FQ CAP HAP SING N N 90 0FQ OAP HOAP SING N N 91 0FQ CEP CBP SING N N 92 0FQ CDP CBP SING N N 93 0FQ CBP CCP SING N N 94 0FQ CCP HCP SING N N 95 0FQ CCP HCPA SING N N 96 0FQ CDP HDP SING N N 97 0FQ CDP HDPA SING N N 98 0FQ CDP HDPB SING N N 99 0FQ CEP HEP SING N N 100 0FQ CEP HEPA SING N N 101 0FQ CEP HEPB SING N N 102 # 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 0FQ SMILES ACDLabs 12.01 "O=C(c1ccccc1)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O" 0FQ InChI InChI 1.03 ;InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-20(38)31-10-11-57-13-18(37)17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-12-19-23(52-54(42,43)44)22(39)28(51-19)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,19,22-24,28,39-40H,8-14H2,1-2H3,(H,31,38)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t19-,22-,23-,24+,28-/m1/s1 ; 0FQ InChIKey InChI 1.03 WOEFYXMDPBOUAP-VXAHOBLNSA-N 0FQ SMILES_CANONICAL CACTVS 3.370 "CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4" 0FQ SMILES CACTVS 3.370 "CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4" 0FQ SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O" 0FQ SMILES "OpenEye OEToolkits" 1.7.2 "CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O" # 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 0FQ "SYSTEMATIC NAME" ACDLabs 12.01 "[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxo-2-phenylethyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)" 0FQ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-phenacylsulfanylethylamino)propyl]amino]butyl] hydrogen phosphate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 0FQ "Create component" 2011-06-10 RCSB 0FQ "Initial release" 2014-07-30 RCSB #