data_GMA # _chem_comp.id GMA _chem_comp.name "4-AMIDO-4-CARBAMOYL-BUTYRIC ACID" _chem_comp.type "L-PEPTIDE LINKING" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C5 H10 N2 O3" _chem_comp.mon_nstd_parent_comp_id GLU _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 146.144 _chem_comp.one_letter_code E _chem_comp.three_letter_code GMA _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 1B9U _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.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 GMA N N N 0 1 N N N Y Y N 0.973 19.317 3.810 1.849 -0.113 1.186 N GMA 1 GMA CA CA C 0 1 N N S Y N N 1.278 20.051 5.040 0.497 0.461 1.162 CA GMA 2 GMA CD C C 0 1 N N N N N N 2.740 20.533 5.034 -0.257 0.017 2.388 C GMA 3 GMA O1 O O 0 1 N N N N N N 3.019 21.723 5.160 -0.009 -1.054 2.899 O GMA 4 GMA CB CB C 0 1 N N N Y N N 0.960 19.141 6.242 -0.237 -0.016 -0.090 CB GMA 5 GMA CG CG C 0 1 N N N Y N N 1.214 19.825 7.597 0.529 0.433 -1.335 CG GMA 6 GMA C CD C 0 1 N N N Y N Y 0.907 18.894 8.771 -0.195 -0.037 -2.569 CD GMA 7 GMA O OE1 O 0 1 N N N Y N Y 1.659 17.906 8.922 -1.220 -0.668 -2.464 OE1 GMA 8 GMA OXT OE2 O 0 1 N Y N Y N Y -0.074 19.180 9.491 0.297 0.244 -3.786 OE2 GMA 9 GMA N2 N2 N 0 1 N N N N N N 3.692 19.615 4.881 -1.208 0.811 2.918 N2 GMA 10 GMA H H H 0 1 N N N Y Y N 1.272 18.351 3.782 2.280 0.122 0.304 H GMA 11 GMA H2 H2 H 0 1 N Y N Y Y N 1.624 18.547 3.656 1.738 -1.116 1.195 H2 GMA 12 GMA HA HA H 0 1 N N N Y N N 0.629 20.928 5.120 0.565 1.549 1.151 HA GMA 13 GMA HB2 HB2 H 0 1 N N N Y N N -0.092 18.849 6.193 -0.305 -1.104 -0.079 HB2 GMA 14 GMA HB3 HB3 H 0 1 N N N Y N N 1.563 18.233 6.194 -1.241 0.409 -0.107 HB3 GMA 15 GMA HG2 HG2 H 0 1 N N N Y N N 2.260 20.120 7.679 0.596 1.521 -1.346 HG2 GMA 16 GMA HG3 HG3 H 0 1 N N N Y N N 0.598 20.722 7.673 1.532 0.007 -1.318 HG3 GMA 17 GMA HXT HE2 H 0 1 N Y N Y N Y -0.264 18.601 10.220 -0.167 -0.057 -4.578 HE2 GMA 18 GMA HN2A HN2A H 0 0 N N N N N N 4.652 19.911 4.835 -1.695 0.526 3.707 HN2A GMA 19 GMA HN1 HN1 H 0 1 N N N N N N 3.432 18.645 4.752 -1.407 1.669 2.510 HN1 GMA 20 # 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 GMA N CA SING N N 1 GMA N H SING N N 2 GMA N H2 SING N N 3 GMA CA CD SING N N 4 GMA CA CB SING N N 5 GMA CA HA SING N N 6 GMA CD O1 DOUB N N 7 GMA CD N2 SING N N 8 GMA CB CG SING N N 9 GMA CB HB2 SING N N 10 GMA CB HB3 SING N N 11 GMA CG C SING N N 12 GMA CG HG2 SING N N 13 GMA CG HG3 SING N N 14 GMA C O DOUB N N 15 GMA C OXT SING N N 16 GMA OXT HXT SING N N 17 GMA N2 HN2A SING N N 18 GMA N2 HN1 SING N N 19 # 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 GMA SMILES ACDLabs 10.04 "O=C(N)C(N)CCC(=O)O" GMA SMILES_CANONICAL CACTVS 3.341 "N[C@@H](CCC(O)=O)C(N)=O" GMA SMILES CACTVS 3.341 "N[CH](CCC(O)=O)C(N)=O" GMA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C(CC(=O)O)[C@@H](C(=O)N)N" GMA SMILES "OpenEye OEToolkits" 1.5.0 "C(CC(=O)O)C(C(=O)N)N" GMA InChI InChI 1.03 "InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1" GMA InChIKey InChI 1.03 AEFLONBTGZFSGQ-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 GMA "SYSTEMATIC NAME" ACDLabs 10.04 L-alpha-glutamine GMA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(4S)-4,5-diamino-5-oxo-pentanoic 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 GMA "Create component" 1999-07-08 RCSB GMA "Modify descriptor" 2011-06-04 RCSB GMA "Modify backbone" 2023-11-03 PDBE #