data_GYE # _chem_comp.id GYE _chem_comp.name beta-D-fucofuranose _chem_comp.type "D-saccharide, beta linking" _chem_comp.pdbx_type HETAIN _chem_comp.formula "C6 H12 O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "beta-D-fucose; 6-deoxy-beta-D-galactofuranose; D-fucose; fucose" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2018-10-22 _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 164.156 _chem_comp.one_letter_code ? _chem_comp.three_letter_code GYE _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 6HYH _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 GYE beta-D-fucose PDB ? 2 GYE 6-deoxy-beta-D-galactofuranose PDB ? 3 GYE D-fucose PDB ? 4 GYE fucose 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 GYE O3 O3 O 0 1 N N N -54.598 14.809 25.045 0.348 -1.968 1.317 O3 GYE 1 GYE C2 C4 C 0 1 N N R -56.365 16.318 25.892 1.656 -0.371 -0.012 C2 GYE 2 GYE C1 C5 C 0 1 N N R -57.669 16.801 25.254 1.286 1.087 -0.344 C1 GYE 3 GYE O5 O4 O 0 1 N N N -57.889 14.158 22.103 -2.157 -0.746 -1.158 O5 GYE 4 GYE C6 C C 0 1 N N N -55.443 13.881 22.195 -2.951 1.049 0.252 C6 GYE 5 GYE O4 O O 0 1 N N N -57.912 15.887 24.178 -0.149 1.171 -0.361 O4 GYE 6 GYE C5 C1 C 0 1 N N R -56.646 14.753 22.505 -2.093 -0.215 0.167 C5 GYE 7 GYE C4 C2 C 0 1 N N S -56.787 15.017 23.988 -0.642 0.130 0.509 C4 GYE 8 GYE C3 C3 C 0 1 N N R -55.632 15.722 24.688 0.292 -1.071 0.205 C3 GYE 9 GYE O1 O1 O 0 1 N Y N -58.768 16.814 26.123 1.812 1.962 0.656 O1 GYE 10 GYE O2 O2 O 0 1 N N N -55.570 17.349 26.460 2.357 -0.970 -1.104 O2 GYE 11 GYE HO3 H10 H 0 1 N Y N -53.895 15.279 25.478 0.919 -2.735 1.175 HO3 GYE 12 GYE H2 H3 H 0 1 N N N -56.580 15.527 26.626 2.257 -0.416 0.896 H2 GYE 13 GYE H1 H4 H 0 1 N N N -57.500 17.809 24.848 1.687 1.359 -1.321 H1 GYE 14 GYE HO5 H11 H 0 1 N Y N -58.605 14.743 22.319 -3.049 -0.987 -1.443 HO5 GYE 15 GYE H63 H6 H 0 1 N N N -54.526 14.390 22.525 -3.985 0.803 0.009 H63 GYE 16 GYE H62 H7 H 0 1 N N N -55.540 12.921 22.723 -2.903 1.454 1.263 H62 GYE 17 GYE H61 H5 H 0 1 N N N -55.391 13.699 21.111 -2.578 1.790 -0.454 H61 GYE 18 GYE H5 H H 0 1 N N N -56.518 15.717 21.991 -2.466 -0.956 0.874 H5 GYE 19 GYE H4 H1 H 0 1 N N N -56.970 14.060 24.498 -0.556 0.430 1.553 H4 GYE 20 GYE H3 H2 H 0 1 N N N -55.247 16.531 24.050 -0.026 -1.593 -0.697 H3 GYE 21 GYE HO1 H8 H 0 1 N Y N -58.602 17.421 26.835 1.614 2.896 0.506 HO1 GYE 22 GYE HO2 H9 H 0 1 N Y N -56.021 17.722 27.208 3.206 -0.552 -1.303 HO2 GYE 23 # # 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 GYE O5 C5 SING N N 1 GYE C6 C5 SING N N 2 GYE C5 C4 SING N N 3 GYE C4 O4 SING N N 4 GYE C4 C3 SING N N 5 GYE O4 C1 SING N N 6 GYE C3 O3 SING N N 7 GYE C3 C2 SING N N 8 GYE C1 C2 SING N N 9 GYE C1 O1 SING N N 10 GYE C2 O2 SING N N 11 GYE O3 HO3 SING N N 12 GYE C2 H2 SING N N 13 GYE C1 H1 SING N N 14 GYE O5 HO5 SING N N 15 GYE C6 H63 SING N N 16 GYE C6 H62 SING N N 17 GYE C6 H61 SING N N 18 GYE C5 H5 SING N N 19 GYE C4 H4 SING N N 20 GYE C3 H3 SING N N 21 GYE O1 HO1 SING N N 22 GYE O2 HO2 SING N N 23 # # 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 GYE InChI InChI 1.03 "InChI=1S/C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-10H,1H3/t2-,3-,4-,5+,6-/m1/s1" GYE InChIKey InChI 1.03 AFNUZVCFKQUDBJ-DGPNFKTASA-N GYE SMILES_CANONICAL CACTVS 3.385 "C[C@@H](O)[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O" GYE SMILES CACTVS 3.385 "C[CH](O)[CH]1O[CH](O)[CH](O)[CH]1O" GYE SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "C[C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O" GYE SMILES "OpenEye OEToolkits" 2.0.6 "CC(C1C(C(C(O1)O)O)O)O" # # 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 GYE "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "(2~{R},3~{R},4~{R},5~{S})-5-[(1~{R})-1-oxidanylethyl]oxolane-2,3,4-triol" GYE "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 Dfucfb GYE "COMMON NAME" GMML 1.0 b-D-fucofuranose GYE "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-D-Fucf GYE "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Fuc # # 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 GYE "CARBOHYDRATE ISOMER" D PDB ? GYE "CARBOHYDRATE RING" furanose PDB ? GYE "CARBOHYDRATE ANOMER" beta PDB ? GYE "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 GYE "Create component" 2018-10-22 EBI GYE "Initial release" 2019-05-01 RCSB GYE "Other modification" 2020-07-03 RCSB GYE "Modify name" 2020-07-17 RCSB GYE "Modify synonyms" 2020-07-17 RCSB GYE "Modify linking type" 2020-07-17 RCSB GYE "Modify atom id" 2020-07-17 RCSB GYE "Modify component atom id" 2020-07-17 RCSB GYE "Modify leaving atom flag" 2020-07-17 RCSB ##