data_F7V # _chem_comp.id F7V _chem_comp.name "(2S,4E)-2-aminohex-4-enoic acid" _chem_comp.type "L-peptide linking" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C6 H11 N O2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2018-03-09 _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 129.157 _chem_comp.one_letter_code ? _chem_comp.three_letter_code F7V _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 6CN8 _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 F7V N N N 0 1 N N N Y Y N -13.510 23.160 -25.670 -0.303 -1.554 0.480 N F7V 1 F7V CA CA C 0 1 N N S Y N N -13.722 23.348 -27.095 -0.632 -0.123 0.510 CA F7V 2 F7V C C C 0 1 N N N Y N Y -13.684 21.998 -27.801 -2.032 0.081 -0.011 C F7V 3 F7V O O O 0 1 N N N Y N Y -12.639 21.364 -27.837 -2.553 -0.769 -0.693 O F7V 4 F7V CB CB C 0 1 N N N N N N -12.535 24.234 -27.634 0.356 0.646 -0.369 CB F7V 5 F7V CG CG C 0 1 N N N N N N -12.549 25.630 -27.038 1.739 0.543 0.221 CG F7V 6 F7V CD CD C 0 1 N N N N N N -11.694 26.252 -26.220 2.730 0.092 -0.507 CD F7V 7 F7V CE CE C 0 1 N N N N N N -11.961 27.778 -25.922 4.113 -0.011 0.084 CE F7V 8 F7V OXT O1 O 0 1 N Y N Y N Y -14.834 21.584 -28.277 -2.699 1.208 0.282 O1 F7V 9 F7V H H1 H 0 1 N N N Y Y N -13.535 24.047 -25.209 -0.901 -2.076 1.103 H1 F7V 10 F7V H2 H2 H 0 1 N Y N Y Y N -14.230 22.572 -25.301 -0.354 -1.918 -0.459 H2 F7V 11 F7V HA H4 H 0 1 N N N Y N N -14.678 23.854 -27.293 -0.569 0.244 1.534 H4 F7V 12 F7V H5 H5 H 0 1 N N N N N N -11.583 23.747 -27.375 0.357 0.221 -1.373 H5 F7V 13 F7V H6 H6 H 0 1 N N N N N N -12.620 24.314 -28.728 0.060 1.694 -0.419 H6 F7V 14 F7V H7 H7 H 0 1 N N N N N N -13.402 26.227 -27.326 1.913 0.841 1.245 H7 F7V 15 F7V H8 H8 H 0 1 N N N N N N -10.855 25.732 -25.781 2.557 -0.206 -1.530 H8 F7V 16 F7V H9 H9 H 0 1 N N N N N N -11.187 28.160 -25.240 4.447 0.977 0.401 H9 F7V 17 F7V H10 H10 H 0 1 N N N N N N -11.932 28.346 -26.864 4.092 -0.680 0.944 H10 F7V 18 F7V H11 H11 H 0 1 N N N N N N -12.950 27.893 -25.455 4.800 -0.404 -0.665 H11 F7V 19 F7V HXT H12 H 0 1 N Y N Y N Y -14.728 20.718 -28.653 -3.594 1.294 -0.075 H12 F7V 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 F7V O C DOUB N N 1 F7V C CA SING N N 2 F7V CB CA SING N N 3 F7V CB CG SING N N 4 F7V CA N SING N N 5 F7V CG CD DOUB N E 6 F7V CD CE SING N N 7 F7V C OXT SING N N 8 F7V N H SING N N 9 F7V N H2 SING N N 10 F7V CA HA SING N N 11 F7V CB H5 SING N N 12 F7V CB H6 SING N N 13 F7V CG H7 SING N N 14 F7V CD H8 SING N N 15 F7V CE H9 SING N N 16 F7V CE H10 SING N N 17 F7V CE H11 SING N N 18 F7V 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 F7V SMILES ACDLabs 12.01 "NC(C(O)=O)C\C=C\C" F7V InChI InChI 1.03 "InChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-/m0/s1" F7V InChIKey InChI 1.03 OPOBBDXDRHKTJF-HRJJCQLASA-N F7V SMILES_CANONICAL CACTVS 3.385 "C/C=C/C[C@H](N)C(O)=O" F7V SMILES CACTVS 3.385 "CC=CC[CH](N)C(O)=O" F7V SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "C/C=C/C[C@@H](C(=O)O)N" F7V SMILES "OpenEye OEToolkits" 2.0.6 "CC=CCC(C(=O)O)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 F7V "SYSTEMATIC NAME" ACDLabs 12.01 "(2S,4E)-2-aminohex-4-enoic acid" F7V "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "(~{E},2~{S})-2-azanylhex-4-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 F7V "Create component" 2018-03-09 RCSB F7V "Initial release" 2019-06-05 RCSB F7V "Modify backbone" 2023-11-03 PDBE #