data_2DR # _chem_comp.id 2DR _chem_comp.name 2-deoxy-beta-D-erythro-pentofuranose _chem_comp.type "D-saccharide, beta linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C5 H10 O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "2-deoxy-beta-D-ribofuranose; 2-deoxy-beta-D-erythro-pentose; 2-deoxy-D-erythro-pentose; 2-deoxy-erythro-pentose" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2009-07-20 _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 134.130 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 2DR _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 2WNV _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 2DR 2-deoxy-beta-D-ribofuranose PDB ? 2 2DR 2-deoxy-beta-D-erythro-pentose PDB ? 3 2DR 2-deoxy-D-erythro-pentose PDB ? 4 2DR 2-deoxy-erythro-pentose 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 2DR C2 C2 C 0 1 N N N 19.576 -5.092 -6.320 1.468 0.613 -0.657 C2 2DR 1 2DR C3 C3 C 0 1 N N S 19.340 -6.567 -6.094 0.101 1.285 -0.378 C3 2DR 2 2DR C4 C4 C 0 1 N N R 20.727 -7.174 -6.095 -0.736 0.177 0.289 C4 2DR 3 2DR C5 C5 C 0 1 N N N 20.746 -8.601 -6.615 -2.001 -0.084 -0.532 C5 2DR 4 2DR O1 O1 O 0 1 N Y N 21.280 -4.083 -7.721 2.313 -1.623 -0.116 O1 2DR 5 2DR O3 O3 O 0 1 N N N 18.717 -6.727 -4.830 0.261 2.394 0.509 O3 2DR 6 2DR O4 O4 O 0 1 N N N 21.514 -6.296 -6.895 0.075 -1.009 0.326 O4 2DR 7 2DR O5 O5 O 0 1 N N N 22.056 -8.989 -7.027 -2.827 -1.027 0.153 O5 2DR 8 2DR C1 C1 C 0 1 N N R 21.056 -4.969 -6.627 1.453 -0.576 0.338 C1 2DR 9 2DR H2 H21C H 0 1 N N N 18.969 -4.721 -7.159 1.524 0.258 -1.686 H2 2DR 10 2DR H22C H22C H 0 0 N N N 19.288 -4.492 -5.444 2.289 1.294 -0.436 H22C 2DR 11 2DR H3 H3 H 0 1 N N N 18.695 -7.039 -6.850 -0.363 1.606 -1.311 H3 2DR 12 2DR H1 H1 H 0 1 N N N 21.614 -4.534 -5.784 1.745 -0.246 1.335 H1 2DR 13 2DR H4 H4 H 0 1 N N N 21.124 -7.262 -5.073 -1.007 0.476 1.301 H4 2DR 14 2DR HO3 HA H 0 1 N Y N 19.381 -6.763 -4.151 0.829 3.096 0.163 HO3 2DR 15 2DR H51 H51C H 0 1 N N N 20.412 -9.275 -5.813 -2.548 0.850 -0.663 H51 2DR 16 2DR H52 H52C H 0 1 N N N 20.077 -8.662 -7.486 -1.725 -0.483 -1.508 H52 2DR 17 2DR HO5 H5 H 0 1 N N N 22.078 -9.075 -7.973 -3.649 -1.241 -0.310 HO5 2DR 18 2DR HO1 HB H 0 1 N Y N 21.330 -3.190 -7.401 2.341 -2.391 0.470 HO1 2DR 19 # # 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 2DR C2 C3 SING N N 1 2DR C2 C1 SING N N 2 2DR C3 C4 SING N N 3 2DR C3 O3 SING N N 4 2DR C4 C5 SING N N 5 2DR C4 O4 SING N N 6 2DR C5 O5 SING N N 7 2DR O1 C1 SING N N 8 2DR O4 C1 SING N N 9 2DR C2 H2 SING N N 10 2DR C2 H22C SING N N 11 2DR C3 H3 SING N N 12 2DR C1 H1 SING N N 13 2DR C4 H4 SING N N 14 2DR O3 HO3 SING N N 15 2DR C5 H51 SING N N 16 2DR C5 H52 SING N N 17 2DR O5 HO5 SING N N 18 2DR O1 HO1 SING N N 19 # # 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 2DR SMILES ACDLabs 10.04 "OCC1OC(O)CC1O" 2DR SMILES_CANONICAL CACTVS 3.352 "OC[C@H]1O[C@@H](O)C[C@@H]1O" 2DR SMILES CACTVS 3.352 "OC[CH]1O[CH](O)C[CH]1O" 2DR SMILES_CANONICAL "OpenEye OEToolkits" 1.6.1 "C1[C@@H]([C@H](O[C@H]1O)CO)O" 2DR SMILES "OpenEye OEToolkits" 1.6.1 "C1C(C(OC1O)CO)O" 2DR InChI InChI 1.03 "InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1" 2DR InChIKey InChI 1.03 PDWIQYODPROSQH-VPENINKCSA-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 2DR "SYSTEMATIC NAME" ACDLabs 10.04 2-deoxy-beta-D-erythro-pentofuranose 2DR "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.6.1 "(2R,4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol" # # 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 2DR "CARBOHYDRATE ISOMER" D PDB ? 2DR "CARBOHYDRATE RING" furanose PDB ? 2DR "CARBOHYDRATE ANOMER" beta PDB ? 2DR "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 2DR "Create component" 2009-07-20 EBI 2DR "Modify descriptor" 2011-06-04 RCSB 2DR "Other modification" 2020-07-03 RCSB 2DR "Modify synonyms" 2020-07-17 RCSB 2DR "Modify internal type" 2020-07-17 RCSB 2DR "Modify linking type" 2020-07-17 RCSB 2DR "Modify atom id" 2020-07-17 RCSB 2DR "Modify component atom id" 2020-07-17 RCSB 2DR "Modify leaving atom flag" 2020-07-17 RCSB ##