data_64K # _chem_comp.id 64K _chem_comp.name alpha-D-arabinopyranose _chem_comp.type "D-saccharide, alpha linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C5 H10 O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "alpha-D-arabinose; D-arabinose; arabinose" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2016-01-25 _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 150.130 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 64K _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 5HQJ _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 64K alpha-D-arabinose PDB ? 2 64K D-arabinose PDB ? 3 64K arabinose 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 64K O2 OAH O 0 1 N N N 32.306 11.943 43.043 -1.038 -2.083 -0.071 O2 64K 1 64K C2 CAD C 0 1 N N S 32.864 10.588 42.959 -0.449 -0.812 0.209 C2 64K 2 64K C3 CAC C 0 1 N N R 33.807 10.422 44.107 0.892 -0.697 -0.523 C3 64K 3 64K O3 OAI O 0 1 N N N 34.992 11.133 43.826 1.795 -1.687 -0.026 O3 64K 4 64K C4 CAB C 0 1 N N R 34.222 8.968 44.303 1.476 0.698 -0.278 C4 64K 5 64K O4 OAJ O 0 1 N N N 35.050 8.494 43.225 1.738 0.868 1.116 O4 64K 6 64K C5 CAA C 0 1 N N N 33.035 8.117 44.355 0.468 1.753 -0.742 C5 64K 7 64K O5 OAF O 0 1 N N N 32.338 8.208 43.088 -0.766 1.570 -0.045 O5 64K 8 64K C1 CAE C 0 1 N N S 31.755 9.577 43.040 -1.382 0.302 -0.273 C1 64K 9 64K O1 OAG O 0 1 N Y N 30.984 9.680 41.906 -2.615 0.235 0.445 O1 64K 10 64K HO2 HAH H 0 1 N Y N 33.009 12.579 42.992 -1.893 -2.223 0.357 HO2 64K 11 64K H2 HAE H 0 1 N N N 33.408 10.462 42.011 -0.289 -0.713 1.283 H2 64K 12 64K H3 HAD H 0 1 N N N 33.336 10.793 45.029 0.738 -0.845 -1.592 H3 64K 13 64K HO3 HAI H 0 1 N Y N 35.600 11.035 44.549 2.665 -1.671 -0.446 HO3 64K 14 64K H4 HAC H 0 1 N N N 34.770 8.887 45.253 2.404 0.808 -0.840 H4 64K 15 64K HO4 HAJ H 0 1 N Y N 35.287 7.588 43.382 2.111 1.731 1.344 HO4 64K 16 64K H51 HAA H 0 1 N N N 32.373 8.455 45.166 0.861 2.748 -0.531 H51 64K 17 64K H52 HAB H 0 1 N N N 33.335 7.075 44.537 0.300 1.649 -1.814 H52 64K 18 64K H1 HAF H 0 1 N N N 31.160 9.758 43.947 -1.575 0.178 -1.339 H1 64K 19 64K HO1 HAG H 0 1 N Y N 30.278 9.046 41.944 -3.256 0.912 0.191 HO1 64K 20 # # 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 64K O1 C1 SING N N 1 64K C2 C1 SING N N 2 64K C2 O2 SING N N 3 64K C2 C3 SING N N 4 64K C1 O5 SING N N 5 64K O5 C5 SING N N 6 64K O4 C4 SING N N 7 64K O3 C3 SING N N 8 64K C3 C4 SING N N 9 64K C4 C5 SING N N 10 64K O2 HO2 SING N N 11 64K C2 H2 SING N N 12 64K C3 H3 SING N N 13 64K O3 HO3 SING N N 14 64K C4 H4 SING N N 15 64K O4 HO4 SING N N 16 64K C5 H51 SING N N 17 64K C5 H52 SING N N 18 64K C1 H1 SING N N 19 64K O1 HO1 SING N N 20 # # 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 64K SMILES ACDLabs 12.01 "OC1C(OCC(C1O)O)O" 64K InChI InChI 1.03 "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m1/s1" 64K InChIKey InChI 1.03 SRBFZHDQGSBBOR-MBMOQRBOSA-N 64K SMILES_CANONICAL CACTVS 3.385 "O[C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O" 64K SMILES CACTVS 3.385 "O[CH]1CO[CH](O)[CH](O)[CH]1O" 64K SMILES_CANONICAL "OpenEye OEToolkits" 2.0.4 "C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O" 64K SMILES "OpenEye OEToolkits" 2.0.4 "C1C(C(C(C(O1)O)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 64K "SYSTEMATIC NAME" ACDLabs 12.01 alpha-D-arabinopyranose 64K "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.4 "(2~{S},3~{S},4~{R},5~{R})-oxane-2,3,4,5-tetrol" 64K "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DArapa 64K "COMMON NAME" GMML 1.0 a-D-arabinopyranose 64K "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-Arap 64K "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Ara # # 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 64K "CARBOHYDRATE ISOMER" D PDB ? 64K "CARBOHYDRATE RING" pyranose PDB ? 64K "CARBOHYDRATE ANOMER" alpha PDB ? 64K "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 64K "Create component" 2016-01-25 RCSB 64K "Initial release" 2016-03-02 RCSB 64K "Other modification" 2019-08-12 RCSB 64K "Other modification" 2019-12-19 RCSB 64K "Other modification" 2020-07-03 RCSB 64K "Modify synonyms" 2020-07-17 RCSB 64K "Modify atom id" 2020-07-17 RCSB 64K "Modify component atom id" 2020-07-17 RCSB ##