data_PZU # _chem_comp.id PZU _chem_comp.name alpha-D-Paratopyranose _chem_comp.type "D-saccharide, alpha linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C6 H12 O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ;alpha-D-Paratose; 3,6-dideoxy-alpha-D-ribo-hexopyranose; 3,6-dideoxy-alpha-D-glucopyranose; 3,6-dideoxy-alpha-D-allopyranose; 3-deoxy-alpha-D-quinovopyranose; D-Paratose; Paratose ; _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2011-09-02 _chem_comp.pdbx_modified_date 2020-07-17 _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 148.157 _chem_comp.one_letter_code ? _chem_comp.three_letter_code PZU _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 3TH0 _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # # loop_ _pdbx_chem_comp_synonyms.ordinal _pdbx_chem_comp_synonyms.comp_id _pdbx_chem_comp_synonyms.name _pdbx_chem_comp_synonyms.provenance _pdbx_chem_comp_synonyms.type 1 PZU alpha-D-Paratose PDB ? 2 PZU "3,6-dideoxy-alpha-D-ribo-hexopyranose" PDB ? 3 PZU "3,6-dideoxy-alpha-D-glucopyranose" PDB ? 4 PZU "3,6-dideoxy-alpha-D-allopyranose" PDB ? 5 PZU 3-deoxy-alpha-D-quinovopyranose PDB ? 6 PZU D-Paratose PDB ? 7 PZU Paratose PDB ? # # 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 PZU C1 C1 C 0 1 N N S 15.384 -7.906 39.877 -1.144 0.979 -0.220 C1 PZU 1 PZU C2 C2 C 0 1 N N R 15.342 -9.192 40.716 -1.366 -0.488 -0.594 C2 PZU 2 PZU O2 O2 O 0 1 N N N 16.053 -10.230 40.029 -2.682 -0.887 -0.203 O2 PZU 3 PZU C3 C3 C 0 1 N N N 13.903 -9.629 41.003 -0.332 -1.355 0.131 C3 PZU 4 PZU C4 C4 C 0 1 N N S 13.110 -8.453 41.586 1.073 -0.867 -0.236 C4 PZU 5 PZU O4 O4 O 0 1 N N N 11.730 -8.823 41.804 2.045 -1.622 0.491 O4 PZU 6 PZU C5 C5 C 0 1 N N R 13.171 -7.263 40.634 1.201 0.615 0.124 C5 PZU 7 PZU O5 O5 O 0 1 N N N 14.552 -6.887 40.435 0.191 1.359 -0.559 O5 PZU 8 PZU C6 C6 C 0 1 N N N 12.420 -6.006 41.164 2.582 1.125 -0.294 C6 PZU 9 PZU H1 H1 H 0 1 N N N 16.420 -7.536 39.862 -1.850 1.605 -0.766 H1 PZU 10 PZU O1 O1 O 0 1 N Y N 14.924 -8.204 38.556 -1.345 1.148 1.185 O1 PZU 11 PZU H2 H2 H 0 1 N N N 15.824 -8.993 41.685 -1.254 -0.610 -1.672 H2 PZU 12 PZU HO2 HO2 H 0 1 N Y N 16.029 -11.027 40.546 -3.388 -0.376 -0.621 HO2 PZU 13 PZU H31 H3 H 0 1 N N N 13.429 -9.961 40.067 -0.477 -1.271 1.208 H31 PZU 14 PZU H32 H3A H 0 1 N N N 13.911 -10.458 41.726 -0.449 -2.394 -0.175 H32 PZU 15 PZU H4 H4 H 0 1 N N N 13.560 -8.179 42.552 1.236 -0.998 -1.306 H4 PZU 16 PZU HO4 HO4 H 0 1 N Y N 11.256 -8.083 42.165 2.018 -2.572 0.314 HO4 PZU 17 PZU H5 H5 H 0 1 N N N 12.683 -7.586 39.703 1.079 0.739 1.200 H5 PZU 18 PZU H61 H6 H 0 1 N N N 12.505 -5.191 40.430 2.704 1.001 -1.370 H61 PZU 19 PZU H62 H6A H 0 1 N N N 11.359 -6.251 41.318 2.673 2.180 -0.037 H62 PZU 20 PZU H63 H6B H 0 1 N N N 12.865 -5.688 42.118 3.352 0.556 0.227 H63 PZU 21 PZU HO1 HO1 H 0 1 N Y N 14.946 -7.415 38.027 -1.220 2.056 1.494 HO1 PZU 22 # # 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 PZU C1 C2 SING N N 1 PZU C1 O5 SING N N 2 PZU C1 H1 SING N N 3 PZU C1 O1 SING N N 4 PZU C2 O2 SING N N 5 PZU C2 C3 SING N N 6 PZU C2 H2 SING N N 7 PZU O2 HO2 SING N N 8 PZU C3 C4 SING N N 9 PZU C3 H31 SING N N 10 PZU C3 H32 SING N N 11 PZU C4 O4 SING N N 12 PZU C4 C5 SING N N 13 PZU C4 H4 SING N N 14 PZU O4 HO4 SING N N 15 PZU C5 O5 SING N N 16 PZU C5 C6 SING N N 17 PZU C5 H5 SING N N 18 PZU C6 H61 SING N N 19 PZU C6 H62 SING N N 20 PZU C6 H63 SING N N 21 PZU O1 HO1 SING N N 22 # # 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 PZU SMILES ACDLabs 12.01 "OC1C(OC(O)C(O)C1)C" PZU InChI InChI 1.03 "InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1" PZU InChIKey InChI 1.03 KYPWIZMAJMNPMJ-MOJAZDJTSA-N PZU SMILES_CANONICAL CACTVS 3.370 "C[C@H]1O[C@H](O)[C@H](O)C[C@@H]1O" PZU SMILES CACTVS 3.370 "C[CH]1O[CH](O)[CH](O)C[CH]1O" PZU SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "C[C@@H]1[C@H](C[C@H]([C@H](O1)O)O)O" PZU SMILES "OpenEye OEToolkits" 1.7.2 "CC1C(CC(C(O1)O)O)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 PZU "SYSTEMATIC NAME" ACDLabs 12.01 "3,6-dideoxy-alpha-D-ribo-hexopyranose" PZU "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 "(2S,3R,5S,6R)-6-methyloxane-2,3,5-triol" PZU "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DPara PZU "COMMON NAME" GMML 1.0 a-D-Paratopyranose PZU "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 "a-D-3,6-deoxy-Glcp" PZU "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Par # # loop_ _pdbx_chem_comp_feature.comp_id _pdbx_chem_comp_feature.type _pdbx_chem_comp_feature.value _pdbx_chem_comp_feature.source _pdbx_chem_comp_feature.support PZU "CARBOHYDRATE ISOMER" D PDB ? PZU "CARBOHYDRATE RING" pyranose PDB ? PZU "CARBOHYDRATE ANOMER" alpha PDB ? PZU "CARBOHYDRATE PRIMARY CARBONYL GROUP" aldose PDB ? # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site PZU "Create component" 2011-09-02 RCSB PZU "Initial release" 2012-08-24 RCSB PZU "Other modification" 2019-08-12 RCSB PZU "Other modification" 2019-12-19 RCSB PZU "Other modification" 2020-07-03 RCSB PZU "Modify name" 2020-07-17 RCSB PZU "Modify synonyms" 2020-07-17 RCSB PZU "Modify atom id" 2020-07-17 RCSB PZU "Modify component atom id" 2020-07-17 RCSB ##