data_POM # _chem_comp.id POM _chem_comp.name CIS-5-METHYL-4-OXOPROLINE _chem_comp.type "L-PEPTIDE LINKING" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C6 H9 N O3" _chem_comp.mon_nstd_parent_comp_id PRO _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _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 143.141 _chem_comp.one_letter_code P _chem_comp.three_letter_code POM _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 1A7Z _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 POM N N N 0 1 N N N Y Y N -5.641 16.306 18.128 1.061 -0.511 0.141 N POM 1 POM CA CA C 0 1 N N S Y N N -5.626 15.302 17.036 -0.187 -0.524 -0.663 CA POM 2 POM C C C 0 1 N N N Y N Y -6.554 15.688 15.875 0.056 0.048 -2.035 C POM 3 POM O O O 0 1 N N N Y N Y -7.446 16.550 16.039 0.922 0.874 -2.200 O POM 4 POM OXT OXT O 0 1 N Y N Y N Y -6.433 15.001 14.721 -0.688 -0.359 -3.075 OXT POM 5 POM CB CB C 0 1 N N N N N N -6.036 14.000 17.690 -1.133 0.389 0.156 CB POM 6 POM CG CG C 0 1 N N N N N N -6.610 14.374 19.025 -0.780 0.049 1.599 CG POM 7 POM CD CD C 0 1 N N S N N N -6.417 15.886 19.308 0.618 -0.533 1.552 CD POM 8 POM OG OG O 0 1 N N N N N N -7.170 13.608 19.802 -1.471 0.212 2.576 OG POM 9 POM CD1 CD1 C 0 1 N N N N N N -7.729 16.653 19.444 1.563 0.312 2.407 CD1 POM 10 POM H HN H 0 1 N Y N Y Y N -5.970 17.207 17.783 1.525 -1.391 -0.029 H POM 11 POM HA HA H 0 1 N N N Y N N -4.617 15.224 16.566 -0.591 -1.534 -0.734 HA POM 12 POM HXT HXT H 0 1 N Y N Y N Y -7.007 15.239 14.002 -0.532 0.007 -3.956 HXT POM 13 POM HB2 1HB H 0 1 N N N N N N -6.724 13.385 17.065 -0.931 1.439 -0.053 HB2 POM 14 POM HB3 2HB H 0 1 N N N N N N -5.210 13.253 17.753 -2.176 0.147 -0.050 HB3 POM 15 POM HD HD H 0 1 N N N N N N -5.917 16.090 20.283 0.604 -1.559 1.920 HD POM 16 POM HD11 1HD1 H 0 0 N N N N N N -8.316 16.335 20.337 1.227 0.296 3.444 HD11 POM 17 POM HD12 2HD1 H 0 0 N N N N N N -7.552 17.753 19.450 2.572 -0.094 2.345 HD12 POM 18 POM HD13 3HD1 H 0 0 N N N N N N -8.338 16.575 18.513 1.562 1.339 2.042 HD13 POM 19 # 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 POM N CA SING N N 1 POM N CD SING N N 2 POM N H SING N N 3 POM CA C SING N N 4 POM CA CB SING N N 5 POM CA HA SING N N 6 POM C O DOUB N N 7 POM C OXT SING N N 8 POM OXT HXT SING N N 9 POM CB CG SING N N 10 POM CB HB2 SING N N 11 POM CB HB3 SING N N 12 POM CG CD SING N N 13 POM CG OG DOUB N N 14 POM CD CD1 SING N N 15 POM CD HD SING N N 16 POM CD1 HD11 SING N N 17 POM CD1 HD12 SING N N 18 POM CD1 HD13 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 POM SMILES ACDLabs 10.04 "O=C1C(NC(C(=O)O)C1)C" POM SMILES_CANONICAL CACTVS 3.341 "C[C@@H]1N[C@@H](CC1=O)C(O)=O" POM SMILES CACTVS 3.341 "C[CH]1N[CH](CC1=O)C(O)=O" POM SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[C@H]1C(=O)C[C@H](N1)C(=O)O" POM SMILES "OpenEye OEToolkits" 1.5.0 "CC1C(=O)CC(N1)C(=O)O" POM InChI InChI 1.03 "InChI=1S/C6H9NO3/c1-3-5(8)2-4(7-3)6(9)10/h3-4,7H,2H2,1H3,(H,9,10)/t3-,4-/m0/s1" POM InChIKey InChI 1.03 QQBMOLVYWYXMIA-IMJSIDKUSA-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 POM "SYSTEMATIC NAME" ACDLabs 10.04 "(5S)-5-methyl-4-oxo-L-proline" POM "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,5S)-5-methyl-4-oxo-pyrrolidine-2-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 POM "Create component" 1999-07-08 RCSB POM "Modify descriptor" 2011-06-04 RCSB POM "Modify backbone" 2023-11-03 PDBE #