data_02K
# 
_chem_comp.id                                    02K 
_chem_comp.name                                  "1-aminocyclohexanecarboxylic acid" 
_chem_comp.type                                  "PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C7 H13 N O2" 
_chem_comp.mon_nstd_parent_comp_id               ALA 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2011-06-15 
_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                        143.184 
_chem_comp.one_letter_code                       A 
_chem_comp.three_letter_code                     02K 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        3S8O 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_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 
02K O    O    O 0 1 N N N Y N Y 7.963 -5.688 4.719 -2.015 1.202  -0.719 O    02K 1  
02K CD   CD   C 0 1 N N N N N N 3.917 -8.102 3.288 2.601  0.175  -0.451 CD   02K 2  
02K CG   CG   C 0 1 N N N N N N 5.038 -9.139 3.564 1.867  -1.161 -0.581 CG   02K 3  
02K CE   CE   C 0 1 N N N N N N 4.452 -7.018 2.333 1.952  1.007  0.658  CE   02K 4  
02K CB   CB   C 0 1 N N N N N N 6.324 -8.490 4.174 0.399  -0.905 -0.928 CB   02K 5  
02K CH   CH   C 0 1 N N N N N N 5.754 -6.399 2.875 0.484  1.263  0.311  CH   02K 6  
02K N    N    N 0 1 N N N Y Y N 7.364 -7.949 1.991 -0.167 -0.804 1.452  N    02K 7  
02K C    C    C 0 1 N N N Y N Y 8.074 -6.730 4.004 -1.696 0.179  -0.161 C    02K 8  
02K CA   CA   C 0 1 N N N Y N N 6.876 -7.385 3.255 -0.250 -0.073 0.180  CA   02K 9  
02K HAP  HAP  H 0 1 N N N N N N 3.605 -7.637 4.235 3.646  -0.007 -0.204 HAP  02K 10 
02K HAPA HAPA H 0 0 N N N N N N 3.055 -8.606 2.827 2.539  0.717  -1.395 HAPA 02K 11 
02K HAQ  HAQ  H 0 1 N N N N N N 4.654 -9.884 4.276 2.329  -1.753 -1.371 HAQ  02K 12 
02K HAQA HAQA H 0 0 N N N N N N 5.309 -9.619 2.612 1.928  -1.703 0.362  HAQA 02K 13 
02K HAR  HAR  H 0 1 N N N N N N 4.654 -7.473 1.352 2.013  0.465  1.601  HAR  02K 14 
02K HARA HARA H 0 0 N N N N N N 3.695 -6.226 2.231 2.475  1.959  0.750  HARA 02K 15 
02K HB1  HB1  H 0 1 N N N N N N 6.073 -8.050 5.150 0.338  -0.363 -1.872 HB1  02K 16 
02K HB2  HB2  H 0 1 N N N N N N 7.092 -9.268 4.298 -0.124 -1.857 -1.021 HB2  02K 17 
02K HAT  HAT  H 0 1 N N N N N N 6.152 -5.739 2.090 0.022  1.855  1.101  HAT  02K 18 
02K HATA HATA H 0 0 N N N N N N 5.493 -5.836 3.784 0.423  1.805  -0.633 HATA 02K 19 
02K H    H    H 0 1 N N N Y Y N 7.717 -7.214 1.412 -0.644 -1.690 1.392  H    02K 20 
02K OXT  OXT  O 0 1 N Y N Y N Y ?     ?      ?     -2.628 -0.734 0.154  OXT  02K 21 
02K HXT  HXT  H 0 1 N Y N Y N Y ?     ?      ?     -3.543 -0.527 -0.085 HXT  02K 22 
02K H2   H2   H 0 1 N Y N Y Y N 8.095 -8.605 2.179 0.793  -0.928 1.736  H2   02K 23 
# 
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 
02K C   O    DOUB N N 1  
02K CE  CD   SING N N 2  
02K CD  CG   SING N N 3  
02K CD  HAP  SING N N 4  
02K CD  HAPA SING N N 5  
02K CG  CB   SING N N 6  
02K CG  HAQ  SING N N 7  
02K CG  HAQA SING N N 8  
02K CE  CH   SING N N 9  
02K CE  HAR  SING N N 10 
02K CE  HARA SING N N 11 
02K CA  CB   SING N N 12 
02K CB  HB1  SING N N 13 
02K CB  HB2  SING N N 14 
02K CH  CA   SING N N 15 
02K CH  HAT  SING N N 16 
02K CH  HATA SING N N 17 
02K N   CA   SING N N 18 
02K N   H    SING N N 19 
02K CA  C    SING N N 20 
02K C   OXT  SING N N 21 
02K OXT HXT  SING N N 22 
02K N   H2   SING N N 23 
# 
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 
02K SMILES           ACDLabs              12.01 "O=C(O)C1(N)CCCCC1"                                           
02K InChI            InChI                1.03  "InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)" 
02K InChIKey         InChI                1.03  WOXWUZCRWJWTRT-UHFFFAOYSA-N                                   
02K SMILES_CANONICAL CACTVS               3.370 "NC1(CCCCC1)C(O)=O"                                           
02K SMILES           CACTVS               3.370 "NC1(CCCCC1)C(O)=O"                                           
02K SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "C1CCC(CC1)(C(=O)O)N"                                         
02K SMILES           "OpenEye OEToolkits" 1.7.2 "C1CCC(CC1)(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 
02K "SYSTEMATIC NAME" ACDLabs              12.01 "1-aminocyclohexanecarboxylic acid"     
02K "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 "1-azanylcyclohexane-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 
02K "Create component"    2011-06-15 RCSB 
02K "Modify linking type" 2011-06-16 RCSB 
02K "Modify backbone"     2023-11-03 PDBE 
02K "Modify PCM"          2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            02K 
_pdbx_chem_comp_pcm.modified_residue_id                ALA 
_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      ? 
# 
