data_1GL # _chem_comp.id 1GL _chem_comp.name "2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose" _chem_comp.type "D-saccharide, alpha linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C7 H14 O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ;4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE; 2-deoxy-4-O-methyl-alpha-D-fucopyranose; 2,6-dideoxy-4-O-methyl-alpha-D-galactose; 2,6-dideoxy-4-O-methyl-D-galactose; 2,6-dideoxy-4-O-methyl-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 BRI _chem_comp.formula_weight 162.184 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 1GL _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 1EKH _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 1GL "4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE" PDB ? 2 1GL 2-deoxy-4-O-methyl-alpha-D-fucopyranose PDB ? 3 1GL "2,6-dideoxy-4-O-methyl-alpha-D-galactose" PDB ? 4 1GL "2,6-dideoxy-4-O-methyl-D-galactose" PDB ? 5 1GL "2,6-dideoxy-4-O-methyl-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 1GL O1 O1 O 0 1 N Y N 11.223 -3.851 -2.823 0.746 -0.584 -2.456 O1 1GL 1 1GL C1 C1 C 0 1 N N S 12.027 -5.019 -3.145 0.568 0.646 -1.751 C1 1GL 2 1GL C2 C2 C 0 1 N N N 13.336 -4.479 -3.690 1.490 0.669 -0.530 C2 1GL 3 1GL C3 C3 C 0 1 N N R 13.123 -3.710 -4.969 1.157 -0.526 0.372 C3 1GL 4 1GL O3 O3 O 0 1 N N N 14.365 -3.157 -5.408 1.907 -0.434 1.585 O3 1GL 5 1GL C4 C4 C 0 1 N N R 12.413 -4.597 -6.004 -0.342 -0.498 0.685 C4 1GL 6 1GL O4 O4 O 0 1 N N N 13.306 -5.711 -6.396 -0.643 0.650 1.479 O4 1GL 7 1GL CME CME C 0 1 N N N 13.803 -5.456 -7.722 -0.511 0.254 2.845 CME 1GL 8 1GL C5 C5 C 0 1 N N R 11.126 -5.182 -5.382 -1.126 -0.433 -0.627 C5 1GL 9 1GL O5 O5 O 0 1 N N N 11.469 -5.905 -4.152 -0.790 0.760 -1.332 O5 1GL 10 1GL C6 C6 C 0 1 N N N 10.426 -6.140 -6.324 -2.626 -0.438 -0.325 C6 1GL 11 1GL HO1 HO1 H 0 1 N Y N 10.403 -4.189 -2.481 0.152 -0.557 -3.219 HO1 1GL 12 1GL H1 H1 H 0 1 N N N 12.109 -5.632 -2.217 0.815 1.479 -2.409 H1 1GL 13 1GL H2 H21 H 0 1 N N N 13.873 -3.866 -2.929 2.528 0.602 -0.856 H2 1GL 14 1GL H22 H22 H 0 1 N N N 14.089 -5.290 -3.821 1.340 1.596 0.022 H22 1GL 15 1GL H3 H3 H 0 1 N N N 12.442 -2.841 -4.805 1.407 -1.454 -0.142 H3 1GL 16 1GL HO3 HO3 H 0 1 N Y N 14.230 -2.672 -6.214 2.842 -0.442 1.336 HO3 1GL 17 1GL H4 H4 H 0 1 N N N 12.156 -3.985 -6.900 -0.618 -1.400 1.230 H4 1GL 18 1GL HM41 HM41 H 0 0 N N N 14.475 -6.294 -8.017 -0.733 1.103 3.493 HM41 1GL 19 1GL HM42 HM42 H 0 0 N N N 12.984 -5.284 -8.459 -1.208 -0.555 3.058 HM42 1GL 20 1GL HM43 HM43 H 0 0 N N N 14.298 -4.460 -7.808 0.507 -0.085 3.028 HM43 1GL 21 1GL H5 H5 H 0 1 N N N 10.436 -4.331 -5.169 -0.877 -1.299 -1.241 H5 1GL 22 1GL H61 H61 H 0 1 N N N 9.496 -6.562 -5.875 -3.185 -0.392 -1.259 H61 1GL 23 1GL H62 H62 H 0 1 N N N 10.217 -5.659 -7.308 -2.886 -1.352 0.209 H62 1GL 24 1GL H63 H63 H 0 1 N N N 11.114 -6.948 -6.664 -2.875 0.425 0.290 H63 1GL 25 # # 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 1GL O1 C1 SING N N 1 1GL O1 HO1 SING N N 2 1GL C1 C2 SING N N 3 1GL C1 O5 SING N N 4 1GL C1 H1 SING N N 5 1GL C2 C3 SING N N 6 1GL C2 H2 SING N N 7 1GL C2 H22 SING N N 8 1GL C3 O3 SING N N 9 1GL C3 C4 SING N N 10 1GL C3 H3 SING N N 11 1GL O3 HO3 SING N N 12 1GL C4 O4 SING N N 13 1GL C4 C5 SING N N 14 1GL C4 H4 SING N N 15 1GL O4 CME SING N N 16 1GL CME HM41 SING N N 17 1GL CME HM42 SING N N 18 1GL CME HM43 SING N N 19 1GL C5 O5 SING N N 20 1GL C5 C6 SING N N 21 1GL C5 H5 SING N N 22 1GL C6 H61 SING N N 23 1GL C6 H62 SING N N 24 1GL C6 H63 SING N N 25 # # 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 1GL SMILES ACDLabs 10.04 "O(C1C(OC(O)CC1O)C)C" 1GL SMILES_CANONICAL CACTVS 3.341 "CO[C@H]1[C@@H](C)O[C@H](O)C[C@H]1O" 1GL SMILES CACTVS 3.341 "CO[CH]1[CH](C)O[CH](O)C[CH]1O" 1GL SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC" 1GL SMILES "OpenEye OEToolkits" 1.5.0 "CC1C(C(CC(O1)O)O)OC" 1GL InChI InChI 1.03 "InChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1" 1GL InChIKey InChI 1.03 CDRBUGSWTNDUSM-JWXFUTCRSA-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 1GL "SYSTEMATIC NAME" ACDLabs 10.04 "2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranose" 1GL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,4R,5R,6R)-5-methoxy-6-methyl-oxane-2,4-diol" 1GL "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-2-deoxy-Fucp4OMe # # 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 1GL "CARBOHYDRATE ISOMER" D PDB ? 1GL "CARBOHYDRATE RING" pyranose PDB ? 1GL "CARBOHYDRATE ANOMER" alpha PDB ? 1GL "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 1GL "Create component" 1999-07-08 RCSB 1GL "Modify descriptor" 2011-06-04 RCSB 1GL "Other modification" 2020-07-03 RCSB 1GL "Modify name" 2020-07-17 RCSB 1GL "Modify synonyms" 2020-07-17 RCSB 1GL "Modify linking type" 2020-07-17 RCSB 1GL "Modify atom id" 2020-07-17 RCSB 1GL "Modify component atom id" 2020-07-17 RCSB 1GL "Modify leaving atom flag" 2020-07-17 RCSB ##