data_LYK
# 
_chem_comp.id                                    LYK 
_chem_comp.name                                  "(2S)-2,6-diaminohexane-1,1-diol" 
_chem_comp.type                                  peptide-like 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C6 H16 N2 O2" 
_chem_comp.mon_nstd_parent_comp_id               LYS 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2010-10-08 
_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                        148.203 
_chem_comp.one_letter_code                       K 
_chem_comp.three_letter_code                     LYK 
_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        1EKB 
_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 
LYK C    C    C 0 1 N N N Y N Y 5.182 10.222 15.620 -2.523 -0.465 -0.427 C    LYK 1  
LYK N    N    N 0 1 N N N Y Y N 6.624 11.780 14.393 -1.413 1.296  0.863  N    LYK 2  
LYK O    O    O 0 1 N N N Y N Y 4.049 10.073 16.084 -3.674 0.345  -0.677 O    LYK 3  
LYK CA   CA   C 0 1 N N S Y N N 5.369 11.053 14.356 -1.286 0.428  -0.315 CA   LYK 4  
LYK CB   CB   C 0 1 N N N N N N 5.318 10.157 13.119 -0.038 -0.445 -0.173 CB   LYK 5  
LYK CD   CD   C 0 1 N N N N N N 5.528 10.006 10.606 2.457  -0.433 -0.043 CD   LYK 6  
LYK CE   CE   C 0 1 N N N N N N 5.596 10.804 9.309  3.704  0.454  -0.057 CE   LYK 7  
LYK CG   CG   C 0 1 N N N N N N 5.350 10.931 11.809 1.209  0.441  -0.186 CG   LYK 8  
LYK NZ   NZ   N 0 1 N N N N N N 5.663 9.931  8.100  4.903  -0.385 0.080  NZ   LYK 9  
LYK OXT  OXT  O 0 1 N Y N Y N Y 5.798 10.571 16.995 -2.703 -1.184 0.794  OXT  LYK 10 
LYK H    HN   H 0 1 N N N Y Y N 6.724 12.317 13.555 -2.193 1.928  0.764  H    LYK 11 
LYK H2   HNA  H 0 1 N Y N Y Y N 6.631 12.392 15.184 -1.495 0.750  1.707  H2   LYK 12 
LYK HO   HO   H 0 1 N N N Y N Y 4.095 9.535  16.866 -4.497 -0.156 -0.760 HO   LYK 13 
LYK HA   HA   H 0 1 N N N Y N N 4.548 11.783 14.303 -1.199 1.043  -1.211 HA   LYK 14 
LYK HB   HB   H 0 1 N N N N N N 6.191 9.488  13.144 -0.084 -0.994 0.768  HB   LYK 15 
LYK HBA  HBA  H 0 1 N N N N N N 4.383 9.578  13.153 0.009  -1.151 -1.002 HBA  LYK 16 
LYK HD   HD   H 0 1 N N N N N N 4.673 9.315  10.556 2.504  -1.138 -0.873 HD   LYK 17 
LYK HDA  HDA  H 0 1 N N N N N N 6.463 9.439  10.726 2.411  -0.981 0.897  HDA  LYK 18 
LYK HE   HE   H 0 1 N N N N N N 4.693 11.429 9.237  3.750  1.002  -0.997 HE   LYK 19 
LYK HEA  HEA  H 0 1 N N N N N N 6.498 11.433 9.334  3.658  1.159  0.773  HEA  LYK 20 
LYK HG   HG   H 0 1 N N N N N N 4.400 11.475 11.698 1.255  0.989  -1.127 HG   LYK 21 
LYK HGA  HGA  H 0 1 N N N N N N 6.192 11.638 11.838 1.163  1.146  0.644  HGA  LYK 22 
LYK HNZ  HNZ  H 0 1 N N N N N N 5.706 10.500 7.279  4.935  -1.090 -0.641 HNZ  LYK 23 
LYK HNZA HNZA H 0 0 N N N N N N 6.479 9.356  8.149  5.740  0.177  0.074  HNZA LYK 24 
LYK HXT  HXT  H 0 1 N Y N Y N Y 5.547 9.912  17.632 -2.828 -0.620 1.569  HXT  LYK 25 
LYK H1   H    H 0 1 N N N Y N Y 5.680 9.408  15.074 -2.390 -1.169 -1.248 H1   LYK 26 
# 
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 
LYK CA  C    SING N N 1  
LYK C   O    SING N N 2  
LYK C   OXT  SING N N 3  
LYK CA  N    SING N N 4  
LYK N   H    SING N N 5  
LYK N   H2   SING N N 6  
LYK O   HO   SING N N 7  
LYK CB  CA   SING N N 8  
LYK CA  HA   SING N N 9  
LYK CG  CB   SING N N 10 
LYK CB  HB   SING N N 11 
LYK CB  HBA  SING N N 12 
LYK CE  CD   SING N N 13 
LYK CD  CG   SING N N 14 
LYK CD  HD   SING N N 15 
LYK CD  HDA  SING N N 16 
LYK NZ  CE   SING N N 17 
LYK CE  HE   SING N N 18 
LYK CE  HEA  SING N N 19 
LYK CG  HG   SING N N 20 
LYK CG  HGA  SING N N 21 
LYK NZ  HNZ  SING N N 22 
LYK NZ  HNZA SING N N 23 
LYK OXT HXT  SING N N 24 
LYK C   H1   SING N N 25 
# 
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 
LYK SMILES           ACDLabs              12.01 "OC(O)C(N)CCCCN"                                                          
LYK SMILES_CANONICAL CACTVS               3.370 "NCCCC[C@H](N)C(O)O"                                                      
LYK SMILES           CACTVS               3.370 "NCCCC[CH](N)C(O)O"                                                       
LYK SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C(CCN)C[C@@H](C(O)O)N"                                                   
LYK SMILES           "OpenEye OEToolkits" 1.7.0 "C(CCN)CC(C(O)O)N"                                                        
LYK InChI            InChI                1.03  "InChI=1S/C6H16N2O2/c7-4-2-1-3-5(8)6(9)10/h5-6,9-10H,1-4,7-8H2/t5-/m0/s1" 
LYK InChIKey         InChI                1.03  KAIAEVMOENBGKZ-YFKPBYRVSA-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 
LYK "SYSTEMATIC NAME" ACDLabs              12.01 "(2S)-2,6-diaminohexane-1,1-diol"     
LYK "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "(2S)-2,6-bis(azanyl)hexane-1,1-diol" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
LYK "Create component"  2010-10-08 RCSB 
LYK "Modify descriptor" 2011-06-04 RCSB 
LYK "Modify backbone"   2023-11-03 PDBE 
LYK "Modify PCM"        2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            LYK 
_pdbx_chem_comp_pcm.modified_residue_id                LYS 
_pdbx_chem_comp_pcm.type                               Hydrogenation 
_pdbx_chem_comp_pcm.category                           "Named protein modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid 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      ? 
# 
