data_AC5 # _chem_comp.id AC5 _chem_comp.name "1-AMINOCYCLOPENTANECARBOXYLIC ACID" _chem_comp.type "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 CYCLO-LEUCINE _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2004-11-22 _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 AC5 _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 1Y1M _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 AC5 N N N 0 1 N N N Y Y N 1.589 -4.368 0.486 0.046 1.416 1.053 N AC5 1 AC5 O O O 0 1 N N N Y N Y 0.599 -6.692 1.181 1.628 -1.443 -0.204 O AC5 2 AC5 CA CA C 0 1 N N N Y N N 1.901 -4.788 1.881 0.013 0.227 0.191 CA AC5 3 AC5 C C C 0 1 N N N Y N Y 1.398 -6.242 2.074 1.412 -0.260 -0.088 C AC5 4 AC5 CB1 CB1 C 0 1 N N N N N N 3.403 -4.630 2.175 -0.827 -0.890 0.845 CB1 AC5 5 AC5 CB2 CB2 C 0 1 N N N N N N 1.195 -3.866 2.893 -0.727 0.537 -1.133 CB2 AC5 6 AC5 OXT OXT O 0 1 N Y N Y N Y 1.754 -6.911 3.048 2.417 0.621 -0.208 OXT AC5 7 AC5 CG1 CG1 C 0 1 N N N N N N 3.514 -3.517 3.185 -2.247 -0.770 0.263 CG1 AC5 8 AC5 CG2 CG2 C 0 1 N N N N N N 2.202 -2.767 3.155 -2.218 0.419 -0.728 CG2 AC5 9 AC5 H H H 0 1 N N N Y Y N 1.906 -3.431 0.341 0.569 2.162 0.619 H AC5 10 AC5 H2 HN2 H 0 1 N Y N Y Y N 2.050 -4.979 -0.157 -0.887 1.718 1.289 HN2 AC5 11 AC5 HB11 HB11 H 0 0 N N N N N N 3.819 -5.564 2.580 -0.405 -1.865 0.602 HB11 AC5 12 AC5 HB12 HB12 H 0 0 N N N N N N 3.953 -4.377 1.257 -0.853 -0.753 1.926 HB12 AC5 13 AC5 HB21 HB21 H 0 0 N N N N N N 0.260 -3.461 2.480 -0.499 1.547 -1.476 HB21 AC5 14 AC5 HB22 HB22 H 0 0 N N N N N N 0.943 -4.406 3.818 -0.476 -0.197 -1.898 HB22 AC5 15 AC5 HXT HXT H 0 1 N Y N Y N Y 1.347 -7.769 3.010 3.297 0.261 -0.387 HXT AC5 16 AC5 HG11 HG11 H 0 0 N N N N N N 3.697 -3.928 4.189 -2.514 -1.687 -0.262 HG11 AC5 17 AC5 HG12 HG12 H 0 0 N N N N N N 4.345 -2.845 2.925 -2.962 -0.575 1.062 HG12 AC5 18 AC5 HG21 HG21 H 0 0 N N N N N N 2.187 -2.003 2.364 -2.553 1.333 -0.237 HG21 AC5 19 AC5 HG22 HG22 H 0 0 N N N N N N 2.005 -2.251 4.106 -2.835 0.205 -1.600 HG22 AC5 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 AC5 N CA SING N N 1 AC5 N H SING N N 2 AC5 N H2 SING N N 3 AC5 O C DOUB N N 4 AC5 CA C SING N N 5 AC5 CA CB1 SING N N 6 AC5 CA CB2 SING N N 7 AC5 C OXT SING N N 8 AC5 CB1 CG1 SING N N 9 AC5 CB1 HB11 SING N N 10 AC5 CB1 HB12 SING N N 11 AC5 CB2 CG2 SING N N 12 AC5 CB2 HB21 SING N N 13 AC5 CB2 HB22 SING N N 14 AC5 OXT HXT SING N N 15 AC5 CG1 CG2 SING N N 16 AC5 CG1 HG11 SING N N 17 AC5 CG1 HG12 SING N N 18 AC5 CG2 HG21 SING N N 19 AC5 CG2 HG22 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 AC5 SMILES ACDLabs 12.01 "O=C(O)C1(N)CCCC1" AC5 InChI InChI 1.03 "InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)" AC5 InChIKey InChI 1.03 NILQLFBWTXNUOE-UHFFFAOYSA-N AC5 SMILES_CANONICAL CACTVS 3.370 "NC1(CCCC1)C(O)=O" AC5 SMILES CACTVS 3.370 "NC1(CCCC1)C(O)=O" AC5 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "C1CCC(C1)(C(=O)O)N" AC5 SMILES "OpenEye OEToolkits" 1.7.2 "C1CCC(C1)(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 AC5 "SYSTEMATIC NAME" ACDLabs 12.01 "1-aminocyclopentanecarboxylic acid" AC5 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 "1-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 AC5 "Create component" 2004-11-22 RCSB AC5 "Modify descriptor" 2011-06-04 RCSB AC5 "Modify linking type" 2011-06-16 RCSB AC5 "Modify synonyms" 2020-06-05 PDBE AC5 "Modify backbone" 2023-11-03 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id AC5 _pdbx_chem_comp_synonyms.name CYCLO-LEUCINE _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? #