data_LVG # _chem_comp.id LVG _chem_comp.name L-VINYLGLYCINE _chem_comp.type "L-PEPTIDE LINKING" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C4 H7 N O2" _chem_comp.mon_nstd_parent_comp_id GLY _chem_comp.pdbx_synonyms "(2S)-2-AMINO-3-BUTENOIC ACID; (2S)-2-AMINOBUT-3-ENOIC ACID" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2004-05-27 _chem_comp.pdbx_modified_date 2020-05-27 _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 101.104 _chem_comp.one_letter_code G _chem_comp.three_letter_code LVG _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 1TDK _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 LVG N N N 0 1 N N N 100.565 285.728 224.619 1.781 0.472 -0.391 N LVG 1 LVG CA CA C 0 1 N N S 99.297 285.884 223.922 0.313 0.441 -0.368 CA LVG 2 LVG C C C 0 1 N N N 99.536 286.967 222.841 -0.159 0.008 0.995 C LVG 3 LVG O O O 0 1 N N N 98.987 286.842 221.753 0.520 -0.736 1.661 O LVG 4 LVG CB CB C 0 1 N N N 98.190 286.368 224.864 -0.184 -0.531 -1.405 CB LVG 5 LVG OXT OXT O 0 1 N Y N 100.293 287.909 223.111 -1.334 0.449 1.469 OXT LVG 6 LVG CG1 CG1 C 0 1 N N N 97.218 286.785 225.895 -0.961 -0.116 -2.375 CG1 LVG 7 LVG H 1HN H 0 1 N N N 100.407 285.014 225.330 2.094 -0.463 -0.184 H LVG 8 LVG H2 2HN H 0 1 N Y N 100.934 286.602 224.993 2.053 0.664 -1.344 H2 LVG 9 LVG HA HA H 0 1 N N N 98.970 284.906 223.495 -0.074 1.436 -0.588 HA LVG 10 LVG HB HB H 0 1 N N N 97.339 286.790 224.303 0.099 -1.572 -1.350 HB LVG 11 LVG HXT HXT H 0 1 N Y N 100.439 288.573 222.447 -1.637 0.171 2.345 HXT LVG 12 LVG HG11 1HG1 H 0 0 N N N 98.068 286.362 226.455 -1.318 -0.813 -3.118 HG11 LVG 13 LVG HG12 2HG1 H 0 0 N N N 96.421 287.133 226.573 -1.245 0.924 -2.430 HG12 LVG 14 # 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 LVG N CA SING N N 1 LVG N H SING N N 2 LVG N H2 SING N N 3 LVG CA C SING N N 4 LVG CA CB SING N N 5 LVG CA HA SING N N 6 LVG C O DOUB N N 7 LVG C OXT SING N N 8 LVG CB CG1 DOUB N N 9 LVG CB HB SING N N 10 LVG OXT HXT SING N N 11 LVG CG1 HG11 SING N N 12 LVG CG1 HG12 SING N N 13 # 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 LVG SMILES ACDLabs 10.04 "O=C(O)C(\C=C)N" LVG SMILES_CANONICAL CACTVS 3.341 "N[C@@H](C=C)C(O)=O" LVG SMILES CACTVS 3.341 "N[CH](C=C)C(O)=O" LVG SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C=C[C@@H](C(=O)O)N" LVG SMILES "OpenEye OEToolkits" 1.5.0 "C=CC(C(=O)O)N" LVG InChI InChI 1.03 "InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m0/s1" LVG InChIKey InChI 1.03 RQVLGLPAZTUBKX-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 LVG "SYSTEMATIC NAME" ACDLabs 10.04 "(2S)-2-aminobut-3-enoic acid" LVG "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-2-aminobut-3-enoic 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 LVG "Create component" 2004-05-27 RCSB LVG "Modify descriptor" 2011-06-04 RCSB LVG "Modify synonyms" 2020-05-27 PDBE # loop_ _pdbx_chem_comp_synonyms.ordinal _pdbx_chem_comp_synonyms.comp_id _pdbx_chem_comp_synonyms.name _pdbx_chem_comp_synonyms.provenance _pdbx_chem_comp_synonyms.type 1 LVG "(2S)-2-AMINO-3-BUTENOIC ACID" ? ? 2 LVG "(2S)-2-AMINOBUT-3-ENOIC ACID" ? ? #