data_GLU
# 
_chem_comp.id                                    GLU 
_chem_comp.name                                  "GLUTAMIC ACID" 
_chem_comp.type                                  "L-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H9 N O4" 
_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                    2023-11-03 
_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                        147.129 
_chem_comp.one_letter_code                       E 
_chem_comp.three_letter_code                     GLU 
_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        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
GLU N   N   N 0 1 N N N Y Y N 88.261 -7.660 -9.990  1.199  1.867  -0.117 N   GLU 1  
GLU CA  CA  C 0 1 N N S Y N N 87.744 -7.276 -11.334 1.138  0.515  0.453  CA  GLU 2  
GLU C   C   C 0 1 N N N Y N Y 88.474 -6.030 -11.811 2.364  -0.260 0.041  C   GLU 3  
GLU O   O   O 0 1 N N N Y N Y 88.969 -5.292 -10.943 3.010  0.096  -0.916 O   GLU 4  
GLU CB  CB  C 0 1 N N N N N N 86.234 -7.012 -11.267 -0.113 -0.200 -0.062 CB  GLU 5  
GLU CG  CG  C 0 1 N N N N N N 85.437 -8.194 -10.746 -1.360 0.517  0.461  CG  GLU 6  
GLU CD  CD  C 0 1 N N N N N N 83.937 -7.944 -10.707 -2.593 -0.187 -0.046 CD  GLU 7  
GLU OE1 OE1 O 0 1 N N N N N N 83.425 -7.140 -11.520 -2.485 -1.161 -0.753 OE1 GLU 8  
GLU OE2 OE2 O 0 1 N N N N N N 83.260 -8.567 -9.862  -3.811 0.269  0.287  OE2 GLU 9  
GLU OXT OXT O 0 1 N Y N Y N Y 88.543 -5.801 -13.033 2.737  -1.345 0.737  OXT GLU 10 
GLU H   H   H 0 1 N N N Y Y N 87.785 -8.479 -9.671  1.237  1.834  -1.125 H   GLU 11 
GLU H2  HN2 H 0 1 N Y N Y Y N 89.241 -7.847 -10.051 0.421  2.427  0.197  H2  GLU 12 
GLU HA  HA  H 0 1 N N N Y N N 87.920 -8.099 -12.043 1.098  0.580  1.540  HA  GLU 13 
GLU HB2 HB1 H 0 1 N N N N N N 86.064 -6.160 -10.592 -0.117 -0.187 -1.152 HB2 GLU 14 
GLU HB3 HB2 H 0 1 N N N N N N 85.881 -6.781 -12.283 -0.113 -1.231 0.289  HB3 GLU 15 
GLU HG2 HG1 H 0 1 N N N N N N 85.624 -9.052 -11.408 -1.357 0.504  1.551  HG2 GLU 16 
GLU HG3 HG2 H 0 1 N N N N N N 85.775 -8.411 -9.722  -1.360 1.548  0.109  HG3 GLU 17 
GLU HE2 HE2 H 0 1 N N N N N N 82.345 -8.328 -9.951  -4.571 -0.215 -0.062 HE2 GLU 18 
GLU HXT HXT H 0 1 N Y N Y N Y 89.022 -4.994 -13.178 3.530  -1.809 0.435  HXT GLU 19 
# 
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 
GLU N   CA  SING N N 1  
GLU N   H   SING N N 2  
GLU N   H2  SING N N 3  
GLU CA  C   SING N N 4  
GLU CA  CB  SING N N 5  
GLU CA  HA  SING N N 6  
GLU C   O   DOUB N N 7  
GLU C   OXT SING N N 8  
GLU CB  CG  SING N N 9  
GLU CB  HB2 SING N N 10 
GLU CB  HB3 SING N N 11 
GLU CG  CD  SING N N 12 
GLU CG  HG2 SING N N 13 
GLU CG  HG3 SING N N 14 
GLU CD  OE1 DOUB N N 15 
GLU CD  OE2 SING N N 16 
GLU OE2 HE2 SING N N 17 
GLU OXT HXT SING N N 18 
# 
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 
GLU SMILES           ACDLabs              12.01 "O=C(O)C(N)CCC(=O)O"                                                           
GLU SMILES_CANONICAL CACTVS               3.370 "N[C@@H](CCC(O)=O)C(O)=O"                                                      
GLU SMILES           CACTVS               3.370 "N[CH](CCC(O)=O)C(O)=O"                                                        
GLU SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C(CC(=O)O)[C@@H](C(=O)O)N"                                                    
GLU SMILES           "OpenEye OEToolkits" 1.7.0 "C(CC(=O)O)C(C(=O)O)N"                                                         
GLU InChI            InChI                1.03  "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1" 
GLU InChIKey         InChI                1.03  WHUUTDBJXJRKMK-VKHMYHEASA-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 
GLU "SYSTEMATIC NAME" ACDLabs              12.01 "L-glutamic acid"                
GLU "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "(2S)-2-azanylpentanedioic acid" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
GLU "Create component"         1999-07-08 EBI  
GLU "Modify leaving atom flag" 2011-01-28 RCSB 
GLU "Other modification"       2011-02-09 RCSB 
GLU "Modify descriptor"        2011-06-04 RCSB 
GLU "Modify backbone"          2023-11-03 PDBE 
# 
