data_FGA
# 
_chem_comp.id                                    FGA 
_chem_comp.name                                  5-oxo-D-norvaline 
_chem_comp.type                                  "D-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP
_chem_comp.formula                               "C5 H9 N O3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2008-12-12 
_chem_comp.pdbx_modified_date                    2009-02-17
_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                        131.130 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     FGA 
_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        3FGA 
_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 
FGA C1    C1    C 0 1 N N N -12.121 -38.257 -48.920 -2.904 0.645  -0.078 C1    FGA 1  
FGA C2    C2    C 0 1 N N N -10.690 -38.088 -49.502 -1.731 -0.032 0.582  C2    FGA 2  
FGA C3    C3    C 0 1 N N N -10.575 -36.767 -50.371 -0.439 0.380  -0.127 C3    FGA 3  
FGA C4    C4    C 0 1 N N R -9.184  -36.198 -50.458 0.752  -0.307 0.543  C4    FGA 4  
FGA "C4'" "C4'" C 0 1 N N N -8.626  -35.801 -49.028 2.033  0.193  -0.073 "C4'" FGA 5  
FGA N4    N4    N 0 1 N N N -9.215  -34.987 -51.321 0.651  -1.760 0.351  N4    FGA 6  
FGA O1    O1    O 0 1 N N N -12.899 -37.297 -48.880 -3.828 -0.014 -0.491 O1    FGA 7  
FGA "O1'" "O1'" O 0 1 N N N -7.547  -36.573 -48.696 2.600  -0.470 -0.910 "O1'" FGA 8  
FGA OXT   OXT   O 0 1 N Y N -9.080  -34.914 -48.324 2.544  1.374  0.306  OXT   FGA 9  
FGA H1    H1    H 0 1 N N N -12.438 -39.220 -48.548 -2.921 1.720  -0.178 H1    FGA 10 
FGA H2    H2    H 0 1 N N N -9.972  -38.031 -48.671 -1.682 0.265  1.629  H2    FGA 11 
FGA H2A   H2A   H 0 1 N N N -10.473 -38.951 -50.149 -1.852 -1.114 0.516  H2A   FGA 12 
FGA H3    H3    H 0 1 N N N -10.906 -37.005 -51.392 -0.488 0.083  -1.174 H3    FGA 13 
FGA H3A   H3A   H 0 1 N N N -11.197 -36.007 -49.875 -0.318 1.462  -0.061 H3A   FGA 14 
FGA H4    H4    H 0 1 N N N -8.521  -36.966 -50.882 0.750  -0.081 1.610  H4    FGA 15 
FGA HN4   HN4   H 0 1 N N N -9.222  -34.168 -50.747 -0.168 -2.129 0.812  HN4   FGA 16 
FGA HN4A  HN4A  H 0 0 N Y N -8.406  -34.975 -51.908 0.651  -1.996 -0.630 HN4A  FGA 17 
FGA HOXT  HOXT  H 0 0 N Y N -8.570  -34.851 -47.525 3.368  1.653  -0.117 HOXT  FGA 18 
# 
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 
FGA C2    C1    SING N N 1  
FGA C1    O1    DOUB N N 2  
FGA C1    H1    SING N N 3  
FGA C3    C2    SING N N 4  
FGA C2    H2    SING N N 5  
FGA C2    H2A   SING N N 6  
FGA C4    C3    SING N N 7  
FGA C3    H3    SING N N 8  
FGA C3    H3A   SING N N 9  
FGA N4    C4    SING N N 10 
FGA C4    "C4'" SING N N 11 
FGA C4    H4    SING N N 12 
FGA "C4'" "O1'" DOUB N N 13 
FGA "C4'" OXT   SING N N 14 
FGA N4    HN4   SING N N 15 
FGA N4    HN4A  SING N N 16 
FGA OXT   HOXT  SING N N 17 
# 
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 
FGA SMILES           ACDLabs              10.04 O=CCCC(N)C(=O)O                                                          
FGA InChI            InChI                1.02b InChI=1/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m1/s1/f/h8H 
FGA InChIKey         InChI                1.02b KABXUUFDPUOJMW-SGLXVXOJDP                                                
FGA SMILES_CANONICAL CACTVS               3.341 N[C@H](CCC=O)C(O)=O                                                      
FGA SMILES           CACTVS               3.341 N[CH](CCC=O)C(O)=O                                                       
FGA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C(C[C@H](C(=O)O)N)C=O                                                    
FGA SMILES           "OpenEye OEToolkits" 1.5.0 C(CC(C(=O)O)N)C=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 
FGA "SYSTEMATIC NAME" ACDLabs              10.04 5-oxo-D-norvaline                   
FGA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R)-2-amino-5-oxo-pentanoic acid" 
# 
