data_GFP # _chem_comp.id GFP _chem_comp.name 2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucopyranose _chem_comp.type D-saccharide _chem_comp.pdbx_type ATOMS _chem_comp.formula "C6 H12 F O8 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ;2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE-1-PHOSPHATE; 2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucose; 2-deoxy-2-fluoro-1-O-phosphono-D-glucose; 2-deoxy-2-fluoro-1-O-phosphono-glucose ; _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 262.127 _chem_comp.one_letter_code ? _chem_comp.three_letter_code GFP _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 4GPB _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 GFP 2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE-1-PHOSPHATE PDB ? 2 GFP 2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucose PDB ? 3 GFP 2-deoxy-2-fluoro-1-O-phosphono-D-glucose PDB ? 4 GFP 2-deoxy-2-fluoro-1-O-phosphono-glucose 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 GFP C1 C1 C 0 1 N N R 33.866 23.080 27.859 0.205 -0.533 0.777 C1 GFP 1 GFP C2 C2 C 0 1 N N R 34.219 23.393 26.382 -0.909 -1.581 0.723 C2 GFP 2 GFP C3 C3 C 0 1 N N S 33.113 22.742 25.574 -1.925 -1.175 -0.350 C3 GFP 3 GFP C4 C4 C 0 1 N N S 32.783 21.283 25.922 -2.390 0.258 -0.066 C4 GFP 4 GFP C5 C5 C 0 1 N N R 32.539 21.118 27.434 -1.165 1.167 0.046 C5 GFP 5 GFP C6 C6 C 0 1 N N N 32.289 19.680 27.889 -1.620 2.606 0.295 C6 GFP 6 GFP O1 O1 O 0 1 N N N 32.686 23.767 28.190 0.832 -0.441 -0.504 O1 GFP 7 GFP O3 O3 O 0 1 N N N 33.464 22.671 24.208 -3.044 -2.062 -0.311 O3 GFP 8 GFP O4 O4 O 0 1 N N N 31.636 20.828 25.200 -3.225 0.710 -1.134 O4 GFP 9 GFP O5 O5 O 0 1 N N N 33.686 21.639 28.077 -0.343 0.736 1.129 O5 GFP 10 GFP O6 O6 O 0 1 N N N 33.309 18.837 27.383 -0.485 3.474 0.281 O6 GFP 11 GFP F2 F2 F 0 1 N N N 34.382 24.738 26.088 -0.362 -2.829 0.404 F2 GFP 12 GFP P P P 0 1 N N N 32.436 24.806 29.357 2.365 -0.026 -0.243 P GFP 13 GFP O1P O1P O 0 1 N N N 33.635 25.692 29.304 2.410 1.214 0.564 O1P GFP 14 GFP O2P O2P O 0 1 N N N 31.119 25.476 29.042 3.114 -1.210 0.551 O2P GFP 15 GFP O3P O3P O 0 1 N N N 32.342 23.962 30.595 3.101 0.224 -1.653 O3P GFP 16 GFP H1 H1 H 0 1 N N N 34.696 23.408 28.501 0.944 -0.828 1.522 H1 GFP 17 GFP H2 H2 H 0 1 N N N 35.213 22.991 26.136 -1.405 -1.637 1.692 H2 GFP 18 GFP H3 H3 H 0 1 N N N 32.253 23.386 25.808 -1.457 -1.220 -1.333 H3 GFP 19 GFP H4 H4 H 0 1 N N N 33.651 20.673 25.631 -2.950 0.281 0.869 H4 GFP 20 GFP H5 H5 H 0 1 N N N 31.614 21.652 27.697 -0.594 1.123 -0.881 H5 GFP 21 GFP H61 H61 H 0 1 N N N 31.314 19.341 27.510 -2.113 2.669 1.265 H61 GFP 22 GFP H62 H62 H 0 1 N N N 32.292 19.638 28.988 -2.317 2.907 -0.487 H62 GFP 23 GFP HO3 HO3 H 0 1 N Y N 32.675 22.655 23.678 -2.703 -2.951 -0.482 HO3 GFP 24 GFP HO4 HO4 H 0 1 N Y N 30.905 20.727 25.798 -3.979 0.107 -1.174 HO4 GFP 25 GFP HO6 HO6 H 0 1 N Y N 33.139 18.648 26.468 -0.815 4.369 0.441 HO6 GFP 26 GFP HOP2 HOP2 H 0 0 N N N 30.634 25.617 29.847 3.062 -1.997 -0.008 HOP2 GFP 27 GFP HOP3 HOP3 H 0 0 N N N 32.322 23.044 30.352 4.014 0.470 -1.452 HOP3 GFP 28 # # 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 GFP C1 C2 SING N N 1 GFP C1 O1 SING N N 2 GFP C1 O5 SING N N 3 GFP C1 H1 SING N N 4 GFP C2 C3 SING N N 5 GFP C2 F2 SING N N 6 GFP C2 H2 SING N N 7 GFP C3 C4 SING N N 8 GFP C3 O3 SING N N 9 GFP C3 H3 SING N N 10 GFP C4 C5 SING N N 11 GFP C4 O4 SING N N 12 GFP C4 H4 SING N N 13 GFP C5 C6 SING N N 14 GFP C5 O5 SING N N 15 GFP C5 H5 SING N N 16 GFP C6 O6 SING N N 17 GFP C6 H61 SING N N 18 GFP C6 H62 SING N N 19 GFP O1 P SING N N 20 GFP O3 HO3 SING N N 21 GFP O4 HO4 SING N N 22 GFP O6 HO6 SING N N 23 GFP P O1P DOUB N N 24 GFP P O2P SING N N 25 GFP P O3P SING N N 26 GFP O2P HOP2 SING N N 27 GFP O3P HOP3 SING N N 28 # # 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 GFP SMILES ACDLabs 10.04 "O=P(OC1OC(C(O)C(O)C1F)CO)(O)O" GFP SMILES_CANONICAL CACTVS 3.341 "OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](F)[C@@H](O)[C@@H]1O" GFP SMILES CACTVS 3.341 "OC[CH]1O[CH](O[P](O)(O)=O)[CH](F)[CH](O)[CH]1O" GFP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)F)O)O)O" GFP SMILES "OpenEye OEToolkits" 1.5.0 "C(C1C(C(C(C(O1)OP(=O)(O)O)F)O)O)O" GFP InChI InChI 1.03 "InChI=1S/C6H12FO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1" GFP InChIKey InChI 1.03 LXEHNDWFCMGWAY-QZABAPFNSA-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 GFP "SYSTEMATIC NAME" ACDLabs 10.04 2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucopyranose GFP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate" GFP "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-Glcp1PO3fluoro # # 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 GFP "CARBOHYDRATE ISOMER" D PDB ? GFP "CARBOHYDRATE RING" pyranose PDB ? GFP "CARBOHYDRATE ANOMER" alpha PDB ? GFP "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 GFP "Create component" 1999-07-08 RCSB GFP "Modify descriptor" 2011-06-04 RCSB GFP "Other modification" 2020-07-03 RCSB GFP "Modify name" 2020-07-17 RCSB GFP "Modify synonyms" 2020-07-17 RCSB GFP "Modify linking type" 2020-07-17 RCSB GFP "Modify leaving atom flag" 2020-07-17 RCSB ##