data_GAL # _chem_comp.id GAL _chem_comp.name beta-D-galactopyranose _chem_comp.type "D-saccharide, beta linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C6 H12 O6" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "beta-D-galactose; D-galactose; galactose" _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 GLB _chem_comp.formula_weight 180.156 _chem_comp.one_letter_code ? _chem_comp.three_letter_code GAL _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 2SBA _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 GAL beta-D-galactose PDB ? 2 GAL D-galactose PDB ? 3 GAL galactose 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 GAL C1 C1 C 0 1 N N R 4.917 90.579 82.825 0.516 1.409 -0.191 C1 GAL 1 GAL C2 C2 C 0 1 N N R 4.266 91.826 82.131 1.522 0.302 0.136 C2 GAL 2 GAL C3 C3 C 0 1 N N S 4.688 91.932 80.680 1.103 -0.986 -0.578 C3 GAL 3 GAL C4 C4 C 0 1 N N R 6.237 91.798 80.545 -0.322 -1.352 -0.152 C4 GAL 4 GAL C5 C5 C 0 1 N N R 6.741 90.512 81.139 -1.258 -0.182 -0.468 C5 GAL 5 GAL C6 C6 C 0 1 N N N 8.268 90.598 81.059 -2.672 -0.516 0.009 C6 GAL 6 GAL O1 O1 O 0 1 N Y N 5.162 90.127 84.186 0.870 2.599 0.517 O1 GAL 7 GAL O2 O2 O 0 1 N N N 2.834 91.865 82.221 2.823 0.693 -0.308 O2 GAL 8 GAL O3 O3 O 0 1 N N N 4.152 93.123 80.095 1.995 -2.044 -0.220 O3 GAL 9 GAL O4 O4 O 0 1 N N N 6.919 92.828 81.225 -0.348 -1.618 1.251 O4 GAL 10 GAL O5 O5 O 0 1 N N N 6.348 90.446 82.531 -0.793 0.992 0.202 O5 GAL 11 GAL O6 O6 O 0 1 N N N 9.020 89.410 81.129 -3.567 0.525 -0.389 O6 GAL 12 GAL H1 H1 H 0 1 N N N 4.004 90.086 82.459 0.528 1.606 -1.263 H1 GAL 13 GAL H2 H2 H 0 1 N N N 4.644 92.693 82.693 1.540 0.132 1.213 H2 GAL 14 GAL H3 H3 H 0 1 N N N 4.267 91.093 80.106 1.133 -0.831 -1.657 H3 GAL 15 GAL H4 H4 H 0 1 N N N 6.432 91.842 79.463 -0.650 -2.237 -0.698 H4 GAL 16 GAL H5 H5 H 0 1 N N N 6.343 89.630 80.615 -1.269 -0.006 -1.544 H5 GAL 17 GAL H61 H61 H 0 1 N N N 8.504 91.059 80.089 -2.992 -1.459 -0.434 H61 GAL 18 GAL H62 H62 H 0 1 N N N 8.590 91.221 81.907 -2.678 -0.604 1.095 H62 GAL 19 GAL HO1 HO1 H 0 1 N Y N 5.598 89.283 84.166 0.274 3.343 0.357 HO1 GAL 20 GAL HO2 HO2 H 0 1 N Y N 2.510 92.642 81.782 3.151 1.506 0.100 HO2 GAL 21 GAL HO3 HO3 H 0 1 N Y N 4.423 93.179 79.186 2.918 -1.876 -0.455 HO3 GAL 22 GAL HO4 HO4 H 0 1 N Y N 7.856 92.712 81.119 0.227 -2.347 1.524 HO4 GAL 23 GAL HO6 HO6 H 0 1 N Y N 9.945 89.616 81.067 -4.484 0.379 -0.119 HO6 GAL 24 # # 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 GAL C1 C2 SING N N 1 GAL C1 O1 SING N N 2 GAL C1 O5 SING N N 3 GAL C1 H1 SING N N 4 GAL C2 C3 SING N N 5 GAL C2 O2 SING N N 6 GAL C2 H2 SING N N 7 GAL C3 C4 SING N N 8 GAL C3 O3 SING N N 9 GAL C3 H3 SING N N 10 GAL C4 C5 SING N N 11 GAL C4 O4 SING N N 12 GAL C4 H4 SING N N 13 GAL C5 C6 SING N N 14 GAL C5 O5 SING N N 15 GAL C5 H5 SING N N 16 GAL C6 O6 SING N N 17 GAL C6 H61 SING N N 18 GAL C6 H62 SING N N 19 GAL O1 HO1 SING N N 20 GAL O2 HO2 SING N N 21 GAL O3 HO3 SING N N 22 GAL O4 HO4 SING N N 23 GAL O6 HO6 SING N N 24 # # 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 GAL SMILES ACDLabs 12.01 "OC1C(O)C(OC(O)C1O)CO" GAL SMILES_CANONICAL CACTVS 3.370 "OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O" GAL SMILES CACTVS 3.370 "OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O" GAL SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O" GAL SMILES "OpenEye OEToolkits" 1.7.2 "C(C1C(C(C(C(O1)O)O)O)O)O" GAL InChI InChI 1.03 "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1" GAL InChIKey InChI 1.03 WQZGKKKJIJFFOK-FPRJBGLDSA-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 GAL "SYSTEMATIC NAME" ACDLabs 12.01 beta-D-galactopyranose GAL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 "(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol" GAL "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DGalpb GAL "COMMON NAME" GMML 1.0 b-D-galactopyranose GAL "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-D-Galp GAL "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Gal # # 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 GAL "CARBOHYDRATE ISOMER" D PDB ? GAL "CARBOHYDRATE RING" pyranose PDB ? GAL "CARBOHYDRATE ANOMER" beta PDB ? GAL "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 GAL "Create component" 1999-07-08 EBI GAL "Modify leaving atom flag" 2011-05-10 RCSB GAL "Modify descriptor" 2011-06-04 RCSB GAL "Other modification" 2019-08-12 RCSB GAL "Other modification" 2019-12-19 RCSB GAL "Other modification" 2020-07-03 RCSB GAL "Modify name" 2020-07-17 RCSB GAL "Modify synonyms" 2020-07-17 RCSB ##