data_BDR # _chem_comp.id BDR _chem_comp.name beta-D-ribofuranose _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-ribose; D-ribose; ribose; BETA-D-RIBOFURANOSYL" _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 BDR _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 1AT8 _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI # # 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 BDR beta-D-ribose PDB ? 2 BDR D-ribose PDB ? 3 BDR ribose PDB ? 4 BDR BETA-D-RIBOFURANOSYL 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 BDR C4 C4 C 0 1 N N R -4.330 -2.538 4.714 0.289 -0.315 0.986 C4 BDR 1 BDR O4 O O 0 1 N N N -3.076 -1.837 4.556 -1.069 -0.337 0.516 O4 BDR 2 BDR C1 C1 C 0 1 N N R -2.062 -2.772 4.202 -1.015 -0.388 -0.925 C1 BDR 3 BDR O1 O1 O 0 1 N Y N -0.803 -2.340 4.571 -2.244 0.072 -1.491 O1 BDR 4 BDR C2 C2 C 0 1 N N R -2.502 -4.036 4.948 0.147 0.573 -1.279 C2 BDR 5 BDR O2 O2 O 0 1 N N N -1.797 -5.278 4.800 0.718 0.238 -2.545 O2 BDR 6 BDR C3 C3 C 0 1 N N S -3.998 -4.041 4.547 1.153 0.302 -0.130 C3 BDR 7 BDR O3 O3 O 0 1 N N N -4.147 -4.337 3.155 2.163 -0.615 -0.555 O3 BDR 8 BDR C5 C5 C 0 1 N N N -4.986 -2.061 6.023 0.387 0.536 2.252 C5 BDR 9 BDR O5 O5 O 0 1 N N N -6.210 -2.713 6.332 -0.422 -0.039 3.279 O5 BDR 10 BDR H4 H4 H 0 1 N N N -4.994 -2.238 3.890 0.624 -1.331 1.195 H4 BDR 11 BDR H1 H1 H 0 1 N N N -2.137 -2.940 3.121 -0.793 -1.400 -1.265 H1 BDR 12 BDR HO1 HO1 H 0 1 N Y N -0.126 -2.963 4.334 -2.937 -0.525 -1.180 HO1 BDR 13 BDR H2 H2 H 0 1 N N N -2.475 -3.770 6.024 -0.188 1.609 -1.267 H2 BDR 14 BDR HO2 HO2 H 0 1 N Y N -1.410 -5.424 5.695 0.017 0.339 -3.203 HO2 BDR 15 BDR H3 H3 H 0 1 N N N -4.568 -4.742 5.177 1.604 1.234 0.209 H3 BDR 16 BDR HO3 HO3 H 0 1 N Y N -3.943 -5.259 3.052 2.629 -0.196 -1.291 HO3 BDR 17 BDR H51 H51 H 0 1 N N N -5.135 -0.966 5.970 0.039 1.547 2.039 H51 BDR 18 BDR H52 H52 H 0 1 N N N -4.299 -2.247 6.858 1.425 0.573 2.586 H52 BDR 19 BDR HO5 H5 H 0 1 N Y N -6.834 -2.451 5.611 -0.331 0.526 4.057 HO5 BDR 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 BDR C4 O4 SING N N 1 BDR C4 C3 SING N N 2 BDR C4 C5 SING N N 3 BDR C4 H4 SING N N 4 BDR O4 C1 SING N N 5 BDR C1 O1 SING N N 6 BDR C1 C2 SING N N 7 BDR C1 H1 SING N N 8 BDR O1 HO1 SING N N 9 BDR C2 O2 SING N N 10 BDR C2 C3 SING N N 11 BDR C2 H2 SING N N 12 BDR O2 HO2 SING N N 13 BDR C3 O3 SING N N 14 BDR C3 H3 SING N N 15 BDR O3 HO3 SING N N 16 BDR C5 O5 SING N N 17 BDR C5 H51 SING N N 18 BDR C5 H52 SING N N 19 BDR O5 HO5 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 BDR SMILES ACDLabs 10.04 "OC1C(OC(O)C1O)CO" BDR SMILES_CANONICAL CACTVS 3.341 "OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O" BDR SMILES CACTVS 3.341 "OC[CH]1O[CH](O)[CH](O)[CH]1O" BDR SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O" BDR SMILES "OpenEye OEToolkits" 1.5.0 "C(C1C(C(C(O1)O)O)O)O" BDR 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" BDR InChIKey InChI 1.03 HMFHBZSHGGEWLO-TXICZTDVSA-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 BDR "SYSTEMATIC NAME" ACDLabs 10.04 beta-D-ribofuranose BDR "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol" BDR "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DRibfb BDR "COMMON NAME" GMML 1.0 b-D-ribofuranose BDR "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-D-Ribf BDR "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Rib # # 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 BDR "CARBOHYDRATE ISOMER" D PDB ? BDR "CARBOHYDRATE RING" furanose PDB ? BDR "CARBOHYDRATE ANOMER" beta PDB ? BDR "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 BDR "Create component" 1999-07-08 EBI BDR "Modify descriptor" 2011-06-04 RCSB BDR "Other modification" 2019-08-12 RCSB BDR "Other modification" 2019-12-19 RCSB BDR "Other modification" 2020-07-03 RCSB BDR "Modify name" 2020-07-17 RCSB BDR "Modify synonyms" 2020-07-17 RCSB BDR "Modify atom id" 2020-07-17 RCSB BDR "Modify component atom id" 2020-07-17 RCSB ##