data_ZGL # _chem_comp.id ZGL _chem_comp.name D-alpha-glutamine _chem_comp.type "D-peptide linking" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C5 H10 N2 O3" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms Iso-D-glutamine _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2011-10-27 _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 ? _chem_comp.three_letter_code ZGL _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 1LOC _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 ZGL CD C C 0 1 N N N N N N 34.018 58.042 46.366 -2.372 0.290 -0.039 C ZGL 1 ZGL N N N 0 1 N N N Y Y N 32.413 56.259 46.627 -1.229 -1.850 0.102 N ZGL 2 ZGL O2 O O 0 1 N N N N N N 34.541 59.075 46.715 -3.024 -0.069 0.919 O ZGL 3 ZGL N1 N1 N 0 1 N N N N N N 34.328 57.564 45.166 -2.733 1.391 -0.726 N1 ZGL 4 ZGL CA CA C 0 1 N N R Y N N 32.647 57.666 46.914 -1.154 -0.494 -0.457 CA ZGL 5 ZGL CB CB C 0 1 N N N Y N N 31.578 58.506 46.263 0.104 0.204 0.064 CB ZGL 6 ZGL C CD C 0 1 N N N Y N Y 32.054 60.406 48.056 2.583 0.167 0.049 CD ZGL 7 ZGL CG CG C 0 1 N N N Y N N 31.017 59.619 47.215 1.344 -0.520 -0.464 CG ZGL 8 ZGL OXT OE1 O 0 1 N Y N Y N Y 32.506 59.871 49.088 3.797 -0.298 -0.287 OE1 ZGL 9 ZGL O OE2 O 0 1 N N N Y N Y 32.423 61.557 47.729 2.485 1.136 0.764 OE2 ZGL 10 ZGL H HN H 0 1 N N N Y Y N 31.516 55.991 46.979 -1.267 -1.824 1.110 HN ZGL 11 ZGL H2 HNA H 0 1 N Y N Y Y N 32.440 56.112 45.638 -2.017 -2.354 -0.277 HNA ZGL 12 ZGL HN1 HN1 H 0 1 N N N N N N 34.975 58.056 44.584 -3.514 1.898 -0.455 HN1 ZGL 13 ZGL HN1A HN1A H 0 0 N N N N N N 33.914 56.712 44.845 -2.211 1.678 -1.492 HN1A ZGL 14 ZGL HA HA H 0 1 N N N Y N N 32.614 57.845 47.999 -1.114 -0.550 -1.544 HA ZGL 15 ZGL HB HB H 0 1 N N N Y N N 32.011 58.993 45.377 0.114 1.238 -0.278 HB ZGL 16 ZGL HBA HBA H 0 1 N N N Y N N 30.747 57.846 45.973 0.107 0.182 1.154 HBA ZGL 17 ZGL HG HG H 0 1 N N N Y N N 30.491 60.350 46.583 1.334 -1.555 -0.121 HG ZGL 18 ZGL HGA HGA H 0 1 N N N Y N N 30.334 59.126 47.922 1.341 -0.498 -1.554 HGA ZGL 19 ZGL HXT HOE1 H 0 0 N Y N Y N Y 33.116 60.464 49.512 4.562 0.175 0.066 HOE1 ZGL 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 ZGL N1 CD SING N N 1 ZGL CD O2 DOUB N N 2 ZGL CD CA SING N N 3 ZGL N CA SING N N 4 ZGL N H SING N N 5 ZGL N H2 SING N N 6 ZGL N1 HN1 SING N N 7 ZGL N1 HN1A SING N N 8 ZGL CB CA SING N N 9 ZGL CA HA SING N N 10 ZGL CB CG SING N N 11 ZGL CB HB SING N N 12 ZGL CB HBA SING N N 13 ZGL CG C SING N N 14 ZGL O C DOUB N N 15 ZGL C OXT SING N N 16 ZGL CG HG SING N N 17 ZGL CG HGA SING N N 18 ZGL OXT HXT 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 ZGL SMILES ACDLabs 12.01 "O=C(N)C(N)CCC(=O)O" ZGL 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-/m1/s1" ZGL InChIKey InChI 1.03 AEFLONBTGZFSGQ-GSVOUGTGSA-N ZGL SMILES_CANONICAL CACTVS 3.370 "N[C@H](CCC(O)=O)C(N)=O" ZGL SMILES CACTVS 3.370 "N[CH](CCC(O)=O)C(N)=O" ZGL SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "C(CC(=O)O)[C@H](C(=O)N)N" ZGL SMILES "OpenEye OEToolkits" 1.7.2 "C(CC(=O)O)C(C(=O)N)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 ZGL "SYSTEMATIC NAME" ACDLabs 12.01 D-alpha-glutamine ZGL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 "(4R)-4,5-bis(azanyl)-5-oxidanylidene-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 ZGL "Create component" 2011-10-27 RCSB ZGL "Modify synonyms" 2020-06-05 PDBE ZGL "Modify backbone" 2023-11-03 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id ZGL _pdbx_chem_comp_synonyms.name Iso-D-glutamine _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? #