data_GFP
# 
_chem_comp.id                                    GFP 
_chem_comp.name                                  2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE-1-PHOSPHATE 
_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                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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_
_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  1H6  H 0 1 N N N 31.314 19.341 27.510 -2.113 2.669  1.265  H61  GFP 22 
GFP H62  2H6  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 N N 32.675 22.655 23.678 -2.703 -2.951 -0.482 HO3  GFP 24 
GFP HO4  HO4  H 0 1 N N N 30.905 20.727 25.798 -3.979 0.107  -1.174 HO4  GFP 25 
GFP HO6  HO6  H 0 1 N N N 33.139 18.648 26.468 -0.815 4.369  0.441  HO6  GFP 26 
GFP HOP2 2HOP H 0 0 N N N 30.634 25.617 29.847 3.062  -1.997 -0.008 HOP2 GFP 27 
GFP HOP3 3HOP 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 InChI            InChI                1.02b InChI=1/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/f/h11-12H 
GFP InChIKey         InChI                1.02b LXEHNDWFCMGWAY-FSINZILFDV                                                                                                
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                                                                                        
# 
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" 
# 
