data_ARA # _chem_comp.id ARA _chem_comp.name alpha-L-arabinopyranose _chem_comp.type "L-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-L-arabinose; L-arabinose; arabinose" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _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 ARA _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 6ABP _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 ARA alpha-L-arabinose PDB ? 2 ARA L-arabinose PDB ? 3 ARA 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 ARA C1 C1 C 0 1 N N R 14.329 56.601 55.194 0.316 -0.253 1.356 C1 ARA 1 ARA C2 C2 C 0 1 N N R 12.945 57.140 54.819 -0.817 0.217 0.443 C2 ARA 2 ARA C3 C3 C 0 1 N N S 12.423 56.407 53.774 -0.716 -0.517 -0.900 C3 ARA 3 ARA C4 C4 C 0 1 N N S 13.290 56.443 52.448 0.697 -0.321 -1.458 C4 ARA 4 ARA C5 C5 C 0 1 N N N 14.757 56.083 52.815 1.716 -0.751 -0.401 C5 ARA 5 ARA O1 O1 O 0 1 N Y N 14.823 57.356 56.207 0.210 0.403 2.621 O1 ARA 6 ARA O2 O2 O 0 1 N N N 12.090 56.889 55.958 -2.076 -0.073 1.055 O2 ARA 7 ARA O3 O3 O 0 1 N N N 11.062 56.774 53.345 -1.677 0.018 -1.813 O3 ARA 8 ARA O4 O4 O 0 1 N N N 13.357 57.781 51.887 0.896 1.056 -1.782 O4 ARA 9 ARA O5 O5 O 0 1 N N N 15.135 56.838 54.055 1.575 0.058 0.764 O5 ARA 10 ARA H1 H1 H 0 1 N N N 14.298 55.528 55.496 0.241 -1.331 1.501 H1 ARA 11 ARA H2 H2 H 0 1 N N N 13.012 58.217 54.539 -0.731 1.291 0.278 H2 ARA 12 ARA H3 H3 H 0 1 N N N 12.420 55.394 54.240 -0.907 -1.580 -0.751 H3 ARA 13 ARA H4 H4 H 0 1 N N N 12.821 55.737 51.722 0.823 -0.928 -2.354 H4 ARA 14 ARA H51 H51 H 0 1 N N N 14.915 54.984 52.917 1.548 -1.795 -0.139 H51 ARA 15 ARA H52 H52 H 0 1 N N N 15.465 56.261 51.972 2.724 -0.637 -0.801 H52 ARA 16 ARA HO1 HO1 H 0 1 N Y N 15.681 57.021 56.439 0.938 0.077 3.167 HO1 ARA 17 ARA HO2 HO2 H 0 1 N Y N 11.231 57.223 55.725 -2.094 0.402 1.896 HO2 ARA 18 ARA HO3 HO3 H 0 1 N Y N 10.702 56.269 52.625 -1.578 -0.471 -2.641 HO3 ARA 19 ARA HO4 HO4 H 0 1 N Y N 13.876 57.802 51.092 1.796 1.135 -2.126 HO4 ARA 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 ARA C1 C2 SING N N 1 ARA C1 O1 SING N N 2 ARA C1 O5 SING N N 3 ARA C1 H1 SING N N 4 ARA C2 C3 SING N N 5 ARA C2 O2 SING N N 6 ARA C2 H2 SING N N 7 ARA C3 C4 SING N N 8 ARA C3 O3 SING N N 9 ARA C3 H3 SING N N 10 ARA C4 C5 SING N N 11 ARA C4 O4 SING N N 12 ARA C4 H4 SING N N 13 ARA C5 O5 SING N N 14 ARA C5 H51 SING N N 15 ARA C5 H52 SING N N 16 ARA O1 HO1 SING N N 17 ARA O2 HO2 SING N N 18 ARA O3 HO3 SING N N 19 ARA O4 HO4 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 ARA SMILES ACDLabs 10.04 "OC1C(O)COC(O)C1O" ARA SMILES_CANONICAL CACTVS 3.341 "O[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O" ARA SMILES CACTVS 3.341 "O[CH]1CO[CH](O)[CH](O)[CH]1O" ARA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O" ARA SMILES "OpenEye OEToolkits" 1.5.0 "C1C(C(C(C(O1)O)O)O)O" ARA 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+/m0/s1" ARA InChIKey InChI 1.03 SRBFZHDQGSBBOR-QMKXCQHVSA-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 ARA "SYSTEMATIC NAME" ACDLabs 10.04 alpha-L-arabinopyranose ARA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R,3R,4S,5S)-oxane-2,3,4,5-tetrol" ARA "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LArapa ARA "COMMON NAME" GMML 1.0 a-L-arabinopyranose ARA "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-L-Arap ARA "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 ARA "CARBOHYDRATE ISOMER" L PDB ? ARA "CARBOHYDRATE RING" pyranose PDB ? ARA "CARBOHYDRATE ANOMER" alpha PDB ? ARA "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 ARA "Create component" 1999-07-08 RCSB ARA "Modify descriptor" 2011-06-04 RCSB ARA "Other modification" 2019-08-12 RCSB ARA "Other modification" 2019-12-19 RCSB ARA "Other modification" 2020-07-03 RCSB ARA "Modify name" 2020-07-17 RCSB ARA "Modify synonyms" 2020-07-17 RCSB ##