data_GGL # _chem_comp.id GGL _chem_comp.name "GAMMA-L-GLUTAMIC ACID" _chem_comp.type "L-gamma-peptide, C-delta linking" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C5 H9 N O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "L-GLUTAMIC ACID" _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 GGL _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 GGL N N N 0 1 N N N Y Y N 88.261 -7.660 -9.990 1.199 1.867 -0.117 N GGL 1 GGL CA CA C 0 1 N N S Y N N 87.744 -7.276 -11.334 1.138 0.515 0.453 CA GGL 2 GGL C C C 0 1 N N N Y N Y 88.474 -6.030 -11.811 2.364 -0.260 0.041 C GGL 3 GGL O O O 0 1 N N N Y N Y 88.969 -5.292 -10.943 3.010 0.096 -0.916 O GGL 4 GGL CB CB C 0 1 N N N N N N 86.234 -7.012 -11.267 -0.113 -0.200 -0.062 CB GGL 5 GGL CG CG C 0 1 N N N N N N 85.437 -8.194 -10.746 -1.360 0.517 0.461 CG GGL 6 GGL CD CD C 0 1 N N N N N N 83.937 -7.944 -10.707 -2.593 -0.187 -0.046 CD GGL 7 GGL OE1 OE1 O 0 1 N N N N N N 83.425 -7.140 -11.520 -2.485 -1.161 -0.753 OE1 GGL 8 GGL OE2 OE2 O 0 1 N Y N N N N 83.260 -8.567 -9.862 -3.811 0.269 0.287 OE2 GGL 9 GGL OXT OXT O 0 1 N N N Y N Y 88.543 -5.801 -13.033 2.737 -1.345 0.737 OXT GGL 10 GGL H H H 0 1 N N N Y Y N 87.785 -8.479 -9.671 1.237 1.834 -1.125 H GGL 11 GGL H2 HN2 H 0 1 N Y N Y Y N 89.241 -7.847 -10.051 0.421 2.427 0.197 H2 GGL 12 GGL HA HA H 0 1 N N N Y N N 87.920 -8.099 -12.043 1.098 0.580 1.540 HA GGL 13 GGL HB2 HB1 H 0 1 N N N N N N 86.064 -6.160 -10.592 -0.117 -0.187 -1.152 HB2 GGL 14 GGL HB3 HB2 H 0 1 N N N N N N 85.881 -6.781 -12.283 -0.113 -1.231 0.289 HB3 GGL 15 GGL HG2 HG1 H 0 1 N N N N N N 85.624 -9.052 -11.408 -1.357 0.504 1.551 HG2 GGL 16 GGL HG3 HG2 H 0 1 N N N N N N 85.775 -8.411 -9.722 -1.360 1.548 0.109 HG3 GGL 17 GGL HE2 HE2 H 0 1 N Y N N N N 82.345 -8.328 -9.951 -4.571 -0.215 -0.062 HE2 GGL 18 GGL HXT HXT H 0 1 N N N Y N Y 89.022 -4.994 -13.178 3.530 -1.809 0.435 HXT GGL 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 GGL N CA SING N N 1 GGL N H SING N N 2 GGL N H2 SING N N 3 GGL CA C SING N N 4 GGL CA CB SING N N 5 GGL CA HA SING N N 6 GGL C O DOUB N N 7 GGL C OXT SING N N 8 GGL CB CG SING N N 9 GGL CB HB2 SING N N 10 GGL CB HB3 SING N N 11 GGL CG CD SING N N 12 GGL CG HG2 SING N N 13 GGL CG HG3 SING N N 14 GGL CD OE1 DOUB N N 15 GGL CD OE2 SING N N 16 GGL OE2 HE2 SING N N 17 GGL 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 GGL SMILES ACDLabs 12.01 "O=C(O)C(N)CCC(=O)O" GGL SMILES_CANONICAL CACTVS 3.370 "N[C@@H](CCC(O)=O)C(O)=O" GGL SMILES CACTVS 3.370 "N[CH](CCC(O)=O)C(O)=O" GGL SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "C(CC(=O)O)[C@@H](C(=O)O)N" GGL SMILES "OpenEye OEToolkits" 1.7.2 "C(CC(=O)O)C(C(=O)O)N" GGL 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" GGL 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 GGL "SYSTEMATIC NAME" ACDLabs 12.01 "L-glutamic acid" GGL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 "(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 GGL "Create component" 1999-07-08 EBI GGL "Other modification" 2011-02-09 RCSB GGL "Modify linking type" 2011-02-17 RCSB GGL "Modify name" 2011-06-03 RCSB GGL "Modify descriptor" 2011-06-04 RCSB GGL "Modify synonyms" 2020-06-05 PDBE GGL "Modify backbone" 2023-11-03 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id GGL _pdbx_chem_comp_synonyms.name "L-GLUTAMIC ACID" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? #