data_XZP # _chem_comp.id XZP _chem_comp.name "(1R,2R)-2-aminocyclopentane-1-carboxylic acid" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _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 2017-05-18 _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 XZP _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 5VTI _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 XZP O O O 0 1 N N N Y N Y -18.694 10.352 7.737 -1.759 -1.007 -0.771 O XZP 1 XZP C C C 0 1 N N N Y N Y -17.570 10.066 8.146 -1.539 -0.086 -0.022 C XZP 2 XZP CA CA C 0 1 N N R Y N N -16.915 10.890 9.249 -0.133 0.184 0.449 CA XZP 3 XZP CB CB C 0 1 N N R Y N N -16.849 12.402 8.979 0.858 -0.783 -0.229 CB XZP 4 XZP N N N 0 1 N N N Y Y N -15.638 13.010 8.318 1.163 -1.904 0.671 N XZP 5 XZP CG CG C 0 1 N N N N N N -17.053 13.073 10.336 2.135 0.026 -0.515 CG XZP 6 XZP CD CD C 0 1 N N N N N N -17.669 12.046 11.262 1.875 1.457 -0.001 CD XZP 7 XZP CE CE C 0 1 N N N N N N -17.754 10.727 10.519 0.332 1.589 -0.009 CE XZP 8 XZP OXT O1 O 0 1 N Y N Y N Y -16.863 9.027 7.656 -2.547 0.702 0.387 O1 XZP 9 XZP HA H1 H 0 1 N N N Y N N -15.899 10.511 9.433 -0.072 0.098 1.534 H1 XZP 10 XZP HB H2 H 0 1 N N N Y N N -17.722 12.655 8.359 0.436 -1.157 -1.162 H2 XZP 11 XZP H H3 H 0 1 N N N Y Y N -15.770 13.997 8.223 1.812 -2.546 0.241 H3 XZP 12 XZP H2 H4 H 0 1 N Y N Y Y N -14.829 12.834 8.879 1.517 -1.571 1.556 H4 XZP 13 XZP H6 H6 H 0 1 N N N N N N -16.086 13.409 10.738 2.982 -0.413 0.013 H6 XZP 14 XZP H7 H7 H 0 1 N N N N N N -17.727 13.936 10.231 2.333 0.044 -1.587 H7 XZP 15 XZP H8 H8 H 0 1 N N N N N N -17.041 11.929 12.158 2.263 1.575 1.011 H8 XZP 16 XZP H9 H9 H 0 1 N N N N N N -18.677 12.371 11.560 2.326 2.190 -0.669 H9 XZP 17 XZP H10 H10 H 0 1 N N N N N N -18.799 10.504 10.258 -0.032 1.807 -1.013 H10 XZP 18 XZP H11 H11 H 0 1 N N N N N N -17.350 9.914 11.140 0.006 2.353 0.696 H11 XZP 19 XZP HXT H12 H 0 1 N Y N Y N Y -17.368 8.590 6.980 -3.430 0.492 0.055 H12 XZP 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 XZP O C DOUB N N 1 XZP C CA SING N N 2 XZP N CB SING N N 3 XZP CB CA SING N N 4 XZP CB CG SING N N 5 XZP CA CE SING N N 6 XZP CG CD SING N N 7 XZP CE CD SING N N 8 XZP C OXT SING N N 9 XZP CA HA SING N N 10 XZP CB HB SING N N 11 XZP N H SING N N 12 XZP N H2 SING N N 13 XZP CG H6 SING N N 14 XZP CG H7 SING N N 15 XZP CD H8 SING N N 16 XZP CD H9 SING N N 17 XZP CE H10 SING N N 18 XZP CE H11 SING N N 19 XZP OXT HXT SING N N 20 # 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 XZP SMILES ACDLabs 12.01 "O=C(C1CCCC1N)O" XZP InChI InChI 1.03 "InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m1/s1" XZP InChIKey InChI 1.03 JWYOAMOZLZXDER-RFZPGFLSSA-N XZP SMILES_CANONICAL CACTVS 3.385 "N[C@@H]1CCC[C@H]1C(O)=O" XZP SMILES CACTVS 3.385 "N[CH]1CCC[CH]1C(O)=O" XZP SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "C1C[C@H]([C@@H](C1)N)C(=O)O" XZP SMILES "OpenEye OEToolkits" 2.0.6 "C1CC(C(C1)N)C(=O)O" # 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 XZP "SYSTEMATIC NAME" ACDLabs 12.01 "(1R,2R)-2-aminocyclopentane-1-carboxylic acid" XZP "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "(1~{R},2~{R})-2-azanylcyclopentane-1-carboxylic 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 XZP "Create component" 2017-05-18 RCSB XZP "Initial release" 2018-02-21 RCSB XZP "Modify backbone" 2023-11-03 PDBE #