data_BXX # _chem_comp.id BXX _chem_comp.name beta-D-arabinofuranose _chem_comp.type "D-saccharide, beta linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C5 H10 O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "beta-D-arabinose; D-arabinose; arabinose" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2009-06-04 _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 BXX _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 3HNS _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 BXX beta-D-arabinose PDB ? 2 BXX D-arabinose PDB ? 3 BXX 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 BXX O2 O2 O 0 1 N N N 12.930 30.799 -3.714 2.104 0.498 -1.141 O2 BXX 1 BXX C2 C2 C 0 1 N N S 13.312 31.240 -5.020 1.390 0.596 0.093 C2 BXX 2 BXX C1 C1 C 0 1 N N R 12.651 32.596 -5.282 1.104 -0.809 0.666 C1 BXX 3 BXX O4 O4 O 0 1 N N N 12.586 32.642 -6.708 -0.222 -1.137 0.197 O4 BXX 4 BXX C3 C3 C 0 1 N N S 12.601 30.349 -6.036 -0.014 1.199 -0.141 C3 BXX 5 BXX O3 O3 O 0 1 N N N 13.514 29.294 -6.356 -0.192 2.375 0.650 O3 BXX 6 BXX C4 C4 C 0 1 N N R 12.640 31.305 -7.224 -0.981 0.085 0.319 C4 BXX 7 BXX C5 C5 C 0 1 N N N 11.298 31.071 -7.920 -2.212 0.040 -0.589 C5 BXX 8 BXX O5 O5 O 0 1 N N N 11.249 32.043 -8.976 -3.112 -0.966 -0.122 O5 BXX 9 BXX HO2 HO2 H 0 1 N Y N 12.845 29.853 -3.711 2.969 0.072 -1.062 HO2 BXX 10 BXX H2 H2 H 0 1 N N N 14.410 31.246 -5.092 1.950 1.195 0.811 H2 BXX 11 BXX O1 O1 O 0 1 N Y N 11.353 32.678 -4.688 2.056 -1.752 0.168 O1 BXX 12 BXX H1 H1 H 0 1 N N N 13.204 33.440 -4.845 1.127 -0.786 1.756 H1 BXX 13 BXX H3 H3 H 0 1 N N N 11.623 29.939 -5.744 -0.162 1.424 -1.197 H3 BXX 14 BXX HO3 HO3 H 0 1 N Y N 13.716 29.320 -7.284 0.431 3.086 0.444 HO3 BXX 15 BXX H4 H4 H 0 1 N N N 13.522 31.162 -7.865 -1.279 0.245 1.355 H4 BXX 16 BXX H51 H5 H 0 1 N N N 11.237 30.049 -8.323 -2.710 1.010 -0.574 H51 BXX 17 BXX H52 H5A H 0 1 N N N 10.452 31.177 -7.225 -1.903 -0.193 -1.608 H52 BXX 18 BXX HO5 HO5 H 0 1 N Y N 11.238 32.917 -8.603 -3.917 -1.051 -0.651 HO5 BXX 19 BXX HO1 H10 H 0 1 N Y N 11.438 32.696 -3.742 1.925 -2.653 0.495 HO1 BXX 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 BXX O2 C2 SING N N 1 BXX O2 HO2 SING N N 2 BXX C2 C1 SING N N 3 BXX C2 C3 SING N N 4 BXX C2 H2 SING N N 5 BXX C1 O4 SING N N 6 BXX C1 O1 SING N N 7 BXX C1 H1 SING N N 8 BXX O4 C4 SING N N 9 BXX C3 O3 SING N N 10 BXX C3 C4 SING N N 11 BXX C3 H3 SING N N 12 BXX O3 HO3 SING N N 13 BXX C4 C5 SING N N 14 BXX C4 H4 SING N N 15 BXX C5 O5 SING N N 16 BXX C5 H51 SING N N 17 BXX C5 H52 SING N N 18 BXX O5 HO5 SING N N 19 BXX 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 BXX SMILES ACDLabs 10.04 "OC1C(OC(O)C1O)CO" BXX SMILES_CANONICAL CACTVS 3.341 "OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H]1O" BXX SMILES CACTVS 3.341 "OC[CH]1O[CH](O)[CH](O)[CH]1O" BXX SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)O" BXX SMILES "OpenEye OEToolkits" 1.5.0 "C(C1C(C(C(O1)O)O)O)O" BXX InChI InChI 1.03 "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m1/s1" BXX InChIKey InChI 1.03 HMFHBZSHGGEWLO-SQOUGZDYSA-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 BXX "SYSTEMATIC NAME" ACDLabs 10.04 beta-D-arabinofuranose BXX "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol" BXX "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DArafb BXX "COMMON NAME" GMML 1.0 b-D-arabinofuranose BXX "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-D-Araf BXX "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 BXX "CARBOHYDRATE ISOMER" D PDB ? BXX "CARBOHYDRATE RING" furanose PDB ? BXX "CARBOHYDRATE ANOMER" beta PDB ? BXX "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 BXX "Create component" 2009-06-04 RCSB BXX "Modify descriptor" 2011-06-04 RCSB BXX "Other modification" 2019-08-12 RCSB BXX "Other modification" 2019-12-19 RCSB BXX "Other modification" 2020-07-03 RCSB BXX "Modify synonyms" 2020-07-17 RCSB BXX "Modify atom id" 2020-07-17 RCSB BXX "Modify component atom id" 2020-07-17 RCSB ##