data_ZPQ # _chem_comp.id ZPQ _chem_comp.name "N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C30 H54 N6 O8 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2006-03-06 _chem_comp.pdbx_modified_date 2011-06-04 _chem_comp.pdbx_ambiguous_flag ? _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 658.850 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ZPQ _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 2G94 _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 ZPQ C11 C11 C 0 1 Y N N 1.984 -5.601 34.519 9.993 -0.989 -2.386 C11 ZPQ 1 ZPQ C12 C12 C 0 1 Y N N 2.896 -4.419 34.340 9.883 0.347 -2.785 C12 ZPQ 2 ZPQ N11 N11 N 0 1 Y N N 3.105 -4.372 32.767 9.046 0.947 -1.978 N11 ZPQ 3 ZPQ N12 N12 N 0 1 Y N N 2.360 -5.437 32.246 8.596 0.010 -1.038 N12 ZPQ 4 ZPQ C13 C13 C 0 1 Y N N 1.692 -6.168 33.320 9.196 -1.168 -1.307 C13 ZPQ 5 ZPQ C14 C14 C 0 1 N N N 3.518 -3.465 35.273 10.604 0.985 -3.944 C14 ZPQ 6 ZPQ C15 C15 C 0 1 N N N 2.236 -5.820 30.806 7.647 0.266 0.048 C15 ZPQ 7 ZPQ O11 O11 O 0 1 N N N 0.921 -5.691 30.263 6.296 0.018 -0.422 O11 ZPQ 8 ZPQ C16 C16 C 0 1 N N N 0.373 -4.438 30.140 5.252 0.189 0.411 C16 ZPQ 9 ZPQ C17 C17 C 0 1 N N N 0.801 -7.380 33.186 9.006 -2.456 -0.547 C17 ZPQ 10 ZPQ O12 O12 O 0 1 N N N 0.998 -3.394 30.307 5.440 0.552 1.555 O12 ZPQ 11 ZPQ N2 N2 N 0 1 N N N -0.937 -4.450 29.811 3.997 -0.041 -0.025 N2 ZPQ 12 ZPQ C21 C21 C 0 1 N N R -1.850 -3.334 29.605 2.861 0.145 0.881 C21 ZPQ 13 ZPQ C22 C22 C 0 1 N N N -2.048 -3.153 28.076 2.437 1.615 0.871 C22 ZPQ 14 ZPQ S2 S2 S 0 1 N N N -0.890 -2.090 27.255 3.824 2.648 1.419 S2 ZPQ 15 ZPQ O22 O22 O 0 1 N N N -1.514 -1.657 26.029 4.868 2.568 0.459 O22 ZPQ 16 ZPQ O23 O23 O 0 1 N N N -0.495 -1.013 28.165 4.102 2.363 2.783 O23 ZPQ 17 ZPQ C23 C23 C 0 1 N N N 0.466 -3.191 26.913 3.041 4.281 1.305 C23 ZPQ 18 ZPQ C25 C25 C 0 1 N N N -3.114 -3.799 30.250 1.709 -0.713 0.425 C25 ZPQ 19 ZPQ O2 O2 O 0 1 N N N -4.137 -4.012 29.607 1.826 -1.412 -0.559 O2 ZPQ 20 ZPQ N3 N3 N 0 1 N N N -3.036 -3.986 31.619 0.550 -0.704 1.112 N3 ZPQ 21 ZPQ C31 C31 C 0 1 N N S -4.222 -4.477 32.376 -0.570 -1.538 0.669 C31 ZPQ 22 ZPQ C32 C32 C 0 1 N N S -4.984 -3.388 33.183 -1.885 -0.931 1.163 C32 ZPQ 23 ZPQ C33 C33 C 0 1 N N N -3.795 -5.664 33.304 -0.413 -2.949 1.240 C33 ZPQ 24 ZPQ C34 C34 C 0 1 N N N -3.262 -6.903 32.509 0.838 -3.602 0.648 C34 ZPQ 25 ZPQ C35 C35 C 0 1 N N N -4.329 -7.510 31.575 1.065 -4.962 1.312 C35 ZPQ 26 ZPQ C36 C36 C 0 1 N N N -2.805 -7.987 33.500 0.648 -3.794 -0.858 C36 ZPQ 27 ZPQ C37 C37 C 0 1 N N N -5.360 -2.194 32.283 -2.042 0.479 0.592 C37 ZPQ 28 ZPQ C38 C38 C 0 1 N N R -6.662 -1.543 32.754 -3.399 1.050 1.009 C38 ZPQ 29 ZPQ C39 C39 C 0 1 N N N -6.726 -0.100 32.239 -3.494 2.512 0.570 C39 ZPQ 30 ZPQ C30 C30 C 0 1 N N N -7.878 -2.299 32.209 -4.501 0.256 0.354 C30 ZPQ 31 ZPQ O31 O31 O 0 1 N N N -4.155 -2.894 34.233 -1.873 -0.868 2.591 O31 ZPQ 32 ZPQ O32 O32 O 0 1 N N N -7.910 -2.765 31.080 -4.227 -0.674 -0.375 O32 ZPQ 33 ZPQ N4 N4 N 0 1 N N N -8.936 -2.398 33.075 -5.790 0.581 0.578 N4 ZPQ 34 ZPQ C41 C41 C 0 1 N N S -10.177 -3.079 32.660 -6.860 -0.191 -0.059 C41 ZPQ 35 ZPQ C42 C42 C 0 1 N N N -11.069 -3.460 33.871 -7.175 -1.423 0.790 C42 ZPQ 36 ZPQ C43 C43 C 0 1 N N N -12.243 -4.361 33.434 -8.351 -2.182 0.172 C43 ZPQ 37 ZPQ C44 C44 C 0 1 N N N -11.622 -2.212 34.557 -5.949 -2.336 0.839 C44 ZPQ 38 ZPQ C45 C45 C 0 1 N N N -10.882 -2.136 31.636 -8.094 0.666 -0.178 C45 ZPQ 39 ZPQ O4 O4 O 0 1 N N N -10.785 -0.933 31.726 -8.275 1.580 0.599 O4 ZPQ 40 ZPQ N5 N5 N 0 1 N N N -11.611 -2.778 30.642 -8.996 0.418 -1.148 N5 ZPQ 41 ZPQ C51 C51 C 0 1 N N N -12.352 -2.035 29.595 -10.246 1.180 -1.199 C51 ZPQ 42 ZPQ C52 C52 C 0 1 N N N -11.691 -2.175 28.184 -11.085 0.705 -2.387 C52 ZPQ 43 ZPQ C53 C53 C 0 1 N N N -10.312 -1.509 28.149 -12.442 1.412 -2.368 C53 ZPQ 44 ZPQ C54 C54 C 0 1 N N N -11.529 -3.647 27.815 -10.356 1.034 -3.691 C54 ZPQ 45 ZPQ H11 H11 H 0 1 N N N 1.612 -5.951 35.471 10.608 -1.744 -2.854 H11 ZPQ 46 ZPQ H141 1H14 H 0 0 N N N 2.859 -2.594 35.400 11.557 1.389 -3.601 H141 ZPQ 47 ZPQ H142 2H14 H 0 0 N N N 4.487 -3.136 34.869 10.783 0.237 -4.717 H142 ZPQ 48 ZPQ H143 3H14 H 0 0 N N N 3.673 -3.952 36.247 9.994 1.791 -4.353 H143 ZPQ 49 ZPQ H151 1H15 H 0 0 N N N 2.497 -6.887 30.742 7.735 1.304 0.370 H151 ZPQ 50 ZPQ H152 2H15 H 0 0 N N N 2.904 -5.165 30.226 7.868 -0.394 0.886 H152 ZPQ 51 ZPQ H171 1H17 H 0 0 N N N -0.140 -7.204 33.727 9.742 -2.518 0.254 H171 ZPQ 52 ZPQ H172 2H17 H 0 0 N N N 1.310 -8.258 33.611 8.002 -2.481 -0.122 H172 ZPQ 53 ZPQ H173 3H17 H 0 0 N N N 0.584 -7.561 32.123 9.134 -3.300 -1.225 H173 ZPQ 54 ZPQ HN2 HN2 H 0 1 N N N -1.339 -5.358 29.691 3.847 -0.331 -0.938 HN2 ZPQ 55 ZPQ H21 H21 H 0 1 N N N -1.503 -2.374 30.016 3.151 -0.142 1.891 H21 ZPQ 56 ZPQ H221 1H22 H 0 0 N N N -3.030 -2.671 27.958 2.147 1.903 -0.140 H221 ZPQ 57 ZPQ H222 2H22 H 0 0 N N N -1.961 -4.148 27.615 1.592 1.754 1.545 H222 ZPQ 58 ZPQ H231 1H23 H 0 0 N N N 0.333 -4.123 27.481 2.172 4.313 1.962 H231 ZPQ 59 ZPQ H232 2H23 H 0 0 N N N 1.411 -2.712 27.210 3.754 5.048 1.608 H232 ZPQ 60 ZPQ H233 3H23 H 0 0 N N N 0.492 -3.418 25.837 2.727 4.462 0.277 H233 ZPQ 61 ZPQ HN3 HN3 H 0 1 N N N -2.182 -3.791 32.101 0.456 -0.145 1.899 HN3 ZPQ 62 ZPQ H31 H31 H 0 1 N N N -4.946 -4.817 31.621 -0.579 -1.586 -0.420 H31 ZPQ 63 ZPQ H32 H32 H 0 1 N N N -5.896 -3.852 33.587 -2.718 -1.552 0.834 H32 ZPQ 64 ZPQ H331 1H33 H 0 0 N N N -4.688 -5.987 33.859 -0.315 -2.892 2.325 H331 ZPQ 65 ZPQ H332 2H33 H 0 0 N N N -2.994 -5.311 33.970 -1.289 -3.544 0.985 H332 ZPQ 66 ZPQ H34 H34 H 0 1 N N N -2.425 -6.554 31.887 1.701 -2.962 0.827 H34 ZPQ 67 ZPQ H351 1H35 H 0 0 N N N -3.975 -8.480 31.196 0.201 -5.602 1.133 H351 ZPQ 68 ZPQ H352 2H35 H 0 0 N N N -4.507 -6.828 30.730 1.956 -5.427 0.890 H352 ZPQ 69 ZPQ H353 3H35 H 0 0 N N N -5.266 -7.654 32.133 1.200 -4.825 2.385 H353 ZPQ 70 ZPQ H361 1H36 H 0 0 N N N -3.554 -8.092 34.299 0.486 -2.825 -1.330 H361 ZPQ 71 ZPQ H362 2H36 H 0 0 N N N -1.838 -7.698 33.939 1.539 -4.260 -1.279 H362 ZPQ 72 ZPQ H363 3H36 H 0 0 N N N -2.696 -8.945 32.971 -0.216 -4.435 -1.036 H363 ZPQ 73 ZPQ H371 1H37 H 0 0 N N N -5.501 -2.559 31.255 -1.984 0.439 -0.496 H371 ZPQ 74 ZPQ H372 2H37 H 0 0 N N N -4.552 -1.448 32.322 -1.247 1.118 0.975 H372 ZPQ 75 ZPQ H38 H38 H 0 1 N N N -6.679 -1.567 33.854 -3.502 0.988 2.092 H38 ZPQ 76 ZPQ H391 1H39 H 0 0 N N N -7.639 0.035 31.640 -4.480 2.904 0.822 H391 ZPQ 77 ZPQ H392 2H39 H 0 0 N N N -5.844 0.106 31.615 -2.729 3.096 1.082 H392 ZPQ 78 ZPQ H393 3H39 H 0 0 N N N -6.741 0.594 33.092 -3.341 2.579 -0.507 H393 ZPQ 79 ZPQ HO31 HO31 H 0 0 N N N -3.268 -2.784 33.912 -1.123 -0.311 2.840 HO31 ZPQ 80 ZPQ HN4 HN4 H 0 1 N N N -8.866 -2.007 33.993 -6.008 1.325 1.160 HN4 ZPQ 81 ZPQ H41 H41 H 0 1 N N N -9.959 -4.045 32.182 -6.540 -0.506 -1.052 H41 ZPQ 82 ZPQ H42 H42 H 0 1 N N N -10.436 -4.013 34.581 -7.436 -1.111 1.802 H42 ZPQ 83 ZPQ H431 1H43 H 0 0 N N N -11.849 -5.304 33.027 -8.130 -2.408 -0.871 H431 ZPQ 84 ZPQ H432 2H43 H 0 0 N N N -12.832 -3.846 32.661 -8.512 -3.111 0.719 H432 ZPQ 85 ZPQ H433 3H43 H 0 0 N N N -12.884 -4.575 34.302 -9.250 -1.567 0.228 H433 ZPQ 86 ZPQ H441 1H44 H 0 0 N N N -12.592 -1.948 34.111 -5.111 -1.796 1.280 H441 ZPQ 87 ZPQ H442 2H44 H 0 0 N N N -10.917 -1.378 34.424 -6.173 -3.214 1.445 H442 ZPQ 88 ZPQ H443 3H44 H 0 0 N N N -11.755 -2.412 35.631 -5.688 -2.649 -0.172 H443 ZPQ 89 ZPQ HN5 HN5 H 0 1 N N N -11.637 -3.778 30.633 -8.818 -0.266 -1.813 HN5 ZPQ 90 ZPQ H511 1H51 H 0 0 N N N -12.343 -0.969 29.867 -10.020 2.240 -1.315 H511 ZPQ 91 ZPQ H512 2H51 H 0 0 N N N -13.376 -2.434 29.542 -10.803 1.027 -0.276 H512 ZPQ 92 ZPQ H52 H52 H 0 1 N N N -12.353 -1.676 27.461 -11.236 -0.372 -2.317 H52 ZPQ 93 ZPQ H531 1H53 H 0 0 N N N -9.579 -2.159 28.649 -13.040 1.073 -3.214 H531 ZPQ 94 ZPQ H532 2H53 H 0 0 N N N -10.359 -0.541 28.669 -12.961 1.177 -1.439 H532 ZPQ 95 ZPQ H533 3H53 H 0 0 N N N -10.008 -1.349 27.104 -12.291 2.489 -2.438 H533 ZPQ 96 ZPQ H541 1H54 H 0 0 N N N -12.383 -4.219 28.206 -10.206 2.112 -3.761 H541 ZPQ 97 ZPQ H542 2H54 H 0 0 N N N -10.597 -4.034 28.253 -9.390 0.531 -3.705 H542 ZPQ 98 ZPQ H543 3H54 H 0 0 N N N -11.490 -3.749 26.720 -10.954 0.696 -4.537 H543 ZPQ 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 ZPQ C11 C12 SING Y N 1 ZPQ C11 C13 DOUB Y N 2 ZPQ C11 H11 SING N N 3 ZPQ C12 N11 DOUB Y N 4 ZPQ C12 C14 SING N N 5 ZPQ N11 N12 SING Y N 6 ZPQ N12 C13 SING Y N 7 ZPQ N12 C15 SING N N 8 ZPQ C13 C17 SING N N 9 ZPQ C14 H141 SING N N 10 ZPQ C14 H142 SING N N 11 ZPQ C14 H143 SING N N 12 ZPQ C15 O11 SING N N 13 ZPQ C15 H151 SING N N 14 ZPQ C15 H152 SING N N 15 ZPQ O11 C16 SING N N 16 ZPQ C16 O12 DOUB N N 17 ZPQ C16 N2 SING N N 18 ZPQ C17 H171 SING N N 19 ZPQ C17 H172 SING N N 20 ZPQ C17 H173 SING N N 21 ZPQ N2 C21 SING N N 22 ZPQ N2 HN2 SING N N 23 ZPQ C21 C22 SING N N 24 ZPQ C21 C25 SING N N 25 ZPQ C21 H21 SING N N 26 ZPQ C22 S2 SING N N 27 ZPQ C22 H221 SING N N 28 ZPQ C22 H222 SING N N 29 ZPQ S2 O22 DOUB N N 30 ZPQ S2 O23 DOUB N N 31 ZPQ S2 C23 SING N N 32 ZPQ C23 H231 SING N N 33 ZPQ C23 H232 SING N N 34 ZPQ C23 H233 SING N N 35 ZPQ C25 O2 DOUB N N 36 ZPQ C25 N3 SING N N 37 ZPQ N3 C31 SING N N 38 ZPQ N3 HN3 SING N N 39 ZPQ C31 C32 SING N N 40 ZPQ C31 C33 SING N N 41 ZPQ C31 H31 SING N N 42 ZPQ C32 C37 SING N N 43 ZPQ C32 O31 SING N N 44 ZPQ C32 H32 SING N N 45 ZPQ C33 C34 SING N N 46 ZPQ C33 H331 SING N N 47 ZPQ C33 H332 SING N N 48 ZPQ C34 C35 SING N N 49 ZPQ C34 C36 SING N N 50 ZPQ C34 H34 SING N N 51 ZPQ C35 H351 SING N N 52 ZPQ C35 H352 SING N N 53 ZPQ C35 H353 SING N N 54 ZPQ C36 H361 SING N N 55 ZPQ C36 H362 SING N N 56 ZPQ C36 H363 SING N N 57 ZPQ C37 C38 SING N N 58 ZPQ C37 H371 SING N N 59 ZPQ C37 H372 SING N N 60 ZPQ C38 C39 SING N N 61 ZPQ C38 C30 SING N N 62 ZPQ C38 H38 SING N N 63 ZPQ C39 H391 SING N N 64 ZPQ C39 H392 SING N N 65 ZPQ C39 H393 SING N N 66 ZPQ C30 O32 DOUB N N 67 ZPQ C30 N4 SING N N 68 ZPQ O31 HO31 SING N N 69 ZPQ N4 C41 SING N N 70 ZPQ N4 HN4 SING N N 71 ZPQ C41 C42 SING N N 72 ZPQ C41 C45 SING N N 73 ZPQ C41 H41 SING N N 74 ZPQ C42 C43 SING N N 75 ZPQ C42 C44 SING N N 76 ZPQ C42 H42 SING N N 77 ZPQ C43 H431 SING N N 78 ZPQ C43 H432 SING N N 79 ZPQ C43 H433 SING N N 80 ZPQ C44 H441 SING N N 81 ZPQ C44 H442 SING N N 82 ZPQ C44 H443 SING N N 83 ZPQ C45 O4 DOUB N N 84 ZPQ C45 N5 SING N N 85 ZPQ N5 C51 SING N N 86 ZPQ N5 HN5 SING N N 87 ZPQ C51 C52 SING N N 88 ZPQ C51 H511 SING N N 89 ZPQ C51 H512 SING N N 90 ZPQ C52 C53 SING N N 91 ZPQ C52 C54 SING N N 92 ZPQ C52 H52 SING N N 93 ZPQ C53 H531 SING N N 94 ZPQ C53 H532 SING N N 95 ZPQ C53 H533 SING N N 96 ZPQ C54 H541 SING N N 97 ZPQ C54 H542 SING N N 98 ZPQ C54 H543 SING N N 99 # 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 ZPQ SMILES ACDLabs 10.04 "O=C(OCn1nc(cc1C)C)NC(C(=O)NC(CC(C)C)C(O)CC(C(=O)NC(C(=O)NCC(C)C)C(C)C)C)CS(=O)(=O)C" ZPQ SMILES_CANONICAL CACTVS 3.341 "CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C[S](C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C" ZPQ SMILES CACTVS 3.341 "CC(C)CNC(=O)[CH](NC(=O)[CH](C)C[CH](O)[CH](CC(C)C)NC(=O)[CH](C[S](C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C" ZPQ SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "Cc1cc(n(n1)COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)O)C" ZPQ SMILES "OpenEye OEToolkits" 1.5.0 "Cc1cc(n(n1)COC(=O)NC(CS(=O)(=O)C)C(=O)NC(CC(C)C)C(CC(C)C(=O)NC(C(C)C)C(=O)NCC(C)C)O)C" ZPQ InChI InChI 1.03 ;InChI=1S/C30H54N6O8S/c1-17(2)11-23(25(37)12-20(7)27(38)34-26(19(5)6)29(40)31-14-18(3)4)32-28(39)24(15-45(10,42)43)33-30(41)44-16-36-22(9)13-21(8)35-36/h13,17-20,23-26,37H,11-12,14-16H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,38)/t20-,23+,24+,25+,26+/m1/s1 ; ZPQ InChIKey InChI 1.03 OFAZWNGNAATRSH-GWCXRDAXSA-N # 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 ZPQ "SYSTEMATIC NAME" ACDLabs 10.04 "N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-dimethyl-1H-pyrazol-1-yl)methoxy]carbonyl}-3-(methylsulfonyl)-L-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-N-(2-methylpropyl)-L-valinamide" ZPQ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(3,5-dimethylpyrazol-1-yl)methyl N-[(2R)-1-[[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[[(2S)-3-methyl-1-(2-methylpropylamino)-1-oxo-butan-2-yl]amino]-8-oxo-octan-4-yl]amino]-3-methylsulfonyl-1-oxo-propan-2-yl]carbamate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site ZPQ "Create component" 2006-03-06 RCSB ZPQ "Modify descriptor" 2011-06-04 RCSB #