data_YCP
# 
_chem_comp.id                                    YCP 
_chem_comp.name                                  "(2S)-piperidine-2-carboxylic 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                     2010-01-07 
_chem_comp.pdbx_modified_date                    2024-09-27 
_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                     YCP 
_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        3KTJ 
_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 
YCP C   C   C 0 1 N N N Y N Y -26.684 -34.961 3.962 -1.700 -0.068 0.005  C   YCP 1  
YCP N   N   N 0 1 N N N Y Y N -24.648 -36.540 4.593 0.452  -1.193 0.088  N   YCP 2  
YCP O   O   O 0 1 N N N Y N Y -27.934 -35.151 3.963 -2.045 -0.924 -0.775 O   YCP 3  
YCP CA  CA  C 0 1 N N S Y N N -25.685 -36.136 3.532 -0.247 0.063  0.385  CA  YCP 4  
YCP CB  CB  C 0 1 N N N N N N -26.509 -37.404 3.200 0.388  1.204  -0.414 CB  YCP 5  
YCP CD  CD  C 0 1 N N N N N N -26.307 -37.851 5.920 2.563  -0.016 -0.313 CD  YCP 6  
YCP CE  CE  C 0 1 N N N N N N -25.125 -36.820 5.966 1.865  -1.121 0.483  CE  YCP 7  
YCP CG  CG  C 0 1 N N N N N N -26.799 -38.262 4.500 1.868  1.320  -0.039 CG  YCP 8  
YCP OXT OXT O 0 1 N Y N Y N Y -26.120 -33.737 4.347 -2.609 0.769  0.530  OXT YCP 9  
YCP H   HN  H 0 1 N Y N Y Y N -24.213 -37.378 4.264 -0.007 -1.976 0.529  HN  YCP 10 
YCP HA  HA  H 0 1 N N N Y N N -25.129 -35.734 2.672 -0.169 0.279  1.451  HA  YCP 11 
YCP HB  HB  H 0 1 N N N N N N -27.467 -37.098 2.755 0.297  0.995  -1.480 HB  YCP 12 
YCP HBA HBA H 0 1 N N N N N N -25.941 -38.020 2.487 -0.121 2.139  -0.181 HBA YCP 13 
YCP HD  HD  H 0 1 N N N N N N -25.965 -38.766 6.426 3.607  0.047  -0.009 HD  YCP 14 
YCP HDA HDA H 0 1 N N N N N N -27.160 -37.396 6.444 2.506  -0.244 -1.378 HDA YCP 15 
YCP HE  HE  H 0 1 N N N N N N -24.299 -37.239 6.560 1.933  -0.900 1.548  HE  YCP 16 
YCP HEA HEA H 0 1 N N N N N N -25.475 -35.885 6.428 2.348  -2.077 0.278  HEA YCP 17 
YCP HG  HG  H 0 1 N N N N N N -27.895 -38.305 4.577 2.334  2.103  -0.638 HG  YCP 18 
YCP HGA HGA H 0 1 N N N N N N -26.335 -39.241 4.308 1.958  1.567  1.019  HGA YCP 19 
YCP HXT HXT H 0 1 N Y N Y N Y -26.811 -33.131 4.588 -3.527 0.649  0.253  HXT YCP 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 
YCP C   O   DOUB N N 1  
YCP C   CA  SING N N 2  
YCP C   OXT SING N N 3  
YCP N   CA  SING N N 4  
YCP N   CE  SING N N 5  
YCP CA  CB  SING N N 6  
YCP CB  CG  SING N N 7  
YCP CD  CE  SING N N 8  
YCP CD  CG  SING N N 9  
YCP N   H   SING N N 10 
YCP CA  HA  SING N N 11 
YCP CB  HB  SING N N 12 
YCP CB  HBA SING N N 13 
YCP CD  HD  SING N N 14 
YCP CD  HDA SING N N 15 
YCP CE  HE  SING N N 16 
YCP CE  HEA SING N N 17 
YCP CG  HG  SING N N 18 
YCP CG  HGA SING N N 19 
YCP 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 
YCP SMILES_CANONICAL CACTVS               3.352 "OC(=O)[C@@H]1CCCCN1"                                                  
YCP SMILES           CACTVS               3.352 "OC(=O)[CH]1CCCCN1"                                                    
YCP SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C1CCN[C@@H](C1)C(=O)O"                                                
YCP SMILES           "OpenEye OEToolkits" 1.7.0 "C1CCNC(C1)C(=O)O"                                                     
YCP InChI            InChI                1.03  "InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1" 
YCP InChIKey         InChI                1.03  HXEACLLIILLPRG-YFKPBYRVSA-N                                            
# 
_pdbx_chem_comp_identifier.comp_id           YCP 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   1.6.1 
_pdbx_chem_comp_identifier.identifier        "(2S)-piperidine-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 
YCP "Create component"  2010-01-07 PDBJ 
YCP "Modify descriptor" 2011-06-04 RCSB 
YCP "Modify backbone"   2023-11-03 PDBE 
YCP "Modify PCM"        2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            YCP 
_pdbx_chem_comp_pcm.modified_residue_id                ? 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Non-standard residue" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain and backbone" 
_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      ? 
# 
