data_7YO
# 
_chem_comp.id                                    7YO 
_chem_comp.name                                  "(2R)-5-oxidanylidenepyrrolidine-2-carboxylic acid" 
_chem_comp.type                                  "peptide linking" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H7 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                     2017-02-15 
_chem_comp.pdbx_modified_date                    2024-10-23 
_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                        129.114 
_chem_comp.one_letter_code                       P 
_chem_comp.three_letter_code                     7YO 
_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        5WXT 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
_chem_comp.pdbx_pcm                              Y 
# 
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 
7YO C   C15 C 0 1 N N N Y N Y 4.724 -32.021 -26.687 1.691  -0.228 -0.001 C5  7YO 1  
7YO O   O5  O 0 1 N N N Y N Y 4.091 -32.992 -26.415 1.687  -1.232 -0.674 O2  7YO 2  
7YO CA  C16 C 0 1 N N R Y N N 5.159 -31.774 -28.095 0.397  0.312  0.553  C4  7YO 3  
7YO N   N8  N 0 1 N N N Y Y N 4.117 -31.599 -29.090 -0.644 -0.721 0.511  N1  7YO 4  
7YO CB  C17 C 0 1 N N N N N N 5.737 -33.085 -28.551 -0.125 1.462  -0.336 C3  7YO 5  
7YO CG  C18 C 0 1 N N N N N N 4.715 -33.765 -29.415 -1.655 1.249  -0.261 C2  7YO 6  
7YO CD  C19 C 0 1 N N N N N N 3.936 -32.620 -29.890 -1.809 -0.223 0.064  C1  7YO 7  
7YO O1  O6  O 0 1 N N N N N N 3.268 -32.688 -30.882 -2.834 -0.858 -0.064 O1  7YO 8  
7YO HA  H23 H 0 1 N N N Y N N 5.911 -30.972 -28.144 0.542  0.661  1.575  H23 7YO 9  
7YO H   H24 H 0 1 N N N Y Y N 3.577 -30.760 -29.160 -0.509 -1.645 0.774  H24 7YO 10 
7YO HB2 H25 H 0 1 N N N N N N 5.968 -33.715 -27.679 0.154  2.432  0.076  H25 7YO 11 
7YO HB3 H26 H 0 1 N N N N N N 6.656 -32.907 -29.129 0.234  1.358  -1.360 H26 7YO 12 
7YO HG2 H27 H 0 1 N N N N N N 4.094 -34.461 -28.832 -2.086 1.861  0.532  H27 7YO 13 
7YO HG3 H28 H 0 1 N N N N N N 5.187 -34.305 -30.249 -2.121 1.483  -1.218 H28 7YO 14 
7YO OXT OXT O 0 1 N Y N Y N Y 5.050 -31.164 -25.777 2.847  0.402  0.259  OXT 7YO 15 
7YO HXT HXT H 0 1 N Y N Y N Y 4.710 -31.449 -24.937 3.651  0.015  -0.115 HXT 7YO 16 
# 
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 
7YO O1  CD  DOUB N N 1  
7YO CD  CG  SING N N 2  
7YO CD  N   SING N N 3  
7YO CG  CB  SING N N 4  
7YO N   CA  SING N N 5  
7YO CB  CA  SING N N 6  
7YO CA  C   SING N N 7  
7YO C   O   DOUB N N 8  
7YO CA  HA  SING N N 9  
7YO N   H   SING N N 10 
7YO CB  HB2 SING N N 11 
7YO CB  HB3 SING N N 12 
7YO CG  HG2 SING N N 13 
7YO CG  HG3 SING N N 14 
7YO C   OXT SING N N 15 
7YO OXT HXT SING N N 16 
# 
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 
7YO InChI            InChI                1.03  "InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1" 
7YO InChIKey         InChI                1.03  ODHCTXKNWHHXJC-GSVOUGTGSA-N                                                
7YO SMILES_CANONICAL CACTVS               3.385 "OC(=O)[C@H]1CCC(=O)N1"                                                    
7YO SMILES           CACTVS               3.385 "OC(=O)[CH]1CCC(=O)N1"                                                     
7YO SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "C1CC(=O)N[C@H]1C(=O)O"                                                    
7YO SMILES           "OpenEye OEToolkits" 2.0.6 "C1CC(=O)NC1C(=O)O"                                                        
# 
_pdbx_chem_comp_identifier.comp_id           7YO 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.6 
_pdbx_chem_comp_identifier.identifier        "(2~{R})-5-oxidanylidenepyrrolidine-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 
7YO "Create component"   2017-02-15 PDBJ 
7YO "Initial release"    2018-07-11 RCSB 
7YO "Modify PCM"         2024-10-15 RCSB 
7YO "Other modification" 2024-10-18 RCSB 
7YO "Modify PCM"         2024-10-23 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            7YO 
_pdbx_chem_comp_pcm.modified_residue_id                PRO 
_pdbx_chem_comp_pcm.type                               Oxidation 
_pdbx_chem_comp_pcm.category                           "Named protein modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               ? 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   ? 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
