data_LYO
# 
_chem_comp.id                                    LYO 
_chem_comp.name                                  4-HYDROXY-LYSINE 
_chem_comp.type                                  "L-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H14 N2 O3" 
_chem_comp.mon_nstd_parent_comp_id               LYS 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2011-03-30 
_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                        162.187 
_chem_comp.one_letter_code                       K 
_chem_comp.three_letter_code                     LYO 
_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        3BDM 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
_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 
LYO N   N   N 0 1 N N N Y Y N 61.003 -135.996 37.562 1.503  1.669  0.214  N   LYO 1  
LYO CA  CA  C 0 1 N N S Y N N 60.819 -136.250 38.954 1.464  0.224  0.475  CA  LYO 2  
LYO C   C   C 0 1 N N N Y N Y 62.095 -136.014 39.767 2.743  -0.408 -0.008 C   LYO 3  
LYO O   O   O 0 1 N N N Y N Y 63.203 -136.325 39.259 3.431  0.164  -0.820 O   LYO 4  
LYO CB  CB  C 0 1 N N N N N N 60.391 -137.720 39.157 0.277  -0.396 -0.266 CB  LYO 5  
LYO CG  CG  C 0 1 N N S N N N 59.533 -138.004 40.393 -1.029 0.155  0.311  CG  LYO 6  
LYO OG  OG  O 0 1 N N N N N N 58.204 -137.579 40.146 -1.111 1.558  0.050  OG  LYO 7  
LYO CD  CD  C 0 1 N N N N N N 59.479 -139.509 40.670 -2.215 -0.556 -0.343 CD  LYO 8  
LYO CE  CE  C 0 1 N N N N N N 60.464 -140.002 41.749 -3.514 -0.096 0.321  CE  LYO 9  
LYO NZ  NZ  N 0 1 N N N N N N 60.303 -139.223 42.964 -4.654 -0.778 -0.307 NZ  LYO 10 
LYO OXT OXT O 0 1 N Y N Y N Y 61.968 -135.595 41.082 3.119  -1.608 0.463  OXT LYO 11 
LYO H   H   H 0 1 N N N Y Y N 60.145 -136.163 37.076 1.604  1.856  -0.772 H   LYO 12 
LYO H2  H2  H 0 1 N Y N Y Y N 61.280 -135.044 37.431 0.684  2.126  0.587  H2  LYO 13 
LYO HA  HA  H 0 1 N N N Y N N 60.046 -135.551 39.307 1.354  0.051  1.545  HA  LYO 14 
LYO HB1 HB1 H 0 1 N N N N N N 59.804 -138.016 38.275 0.340  -0.147 -1.325 HB1 LYO 15 
LYO HB2 HB2 H 0 1 N N N N N N 61.309 -138.319 39.250 0.299  -1.479 -0.146 HB2 LYO 16 
LYO HG  HG  H 0 1 N N N N N N 59.974 -137.472 41.249 -1.051 -0.016 1.387  HG  LYO 17 
LYO HOG HOG H 0 1 N N N N N N 57.668 -137.753 40.911 -1.096 1.784  -0.890 HOG LYO 18 
LYO HD1 HD1 H 0 1 N N N N N N 58.461 -139.751 41.009 -2.244 -0.313 -1.405 HD1 LYO 19 
LYO HD2 HD2 H 0 1 N N N N N N 59.719 -140.031 39.732 -2.106 -1.633 -0.220 HD2 LYO 20 
LYO HE1 HE1 H 0 1 N N N N N N 60.263 -141.061 41.967 -3.486 -0.339 1.383  HE1 LYO 21 
LYO HE2 HE2 H 0 1 N N N N N N 61.494 -139.889 41.379 -3.624 0.982  0.198  HE2 LYO 22 
LYO HZ1 HZ1 H 0 1 N N N N N N 60.945 -139.550 43.657 -4.544 -1.780 -0.263 HZ1 LYO 23 
LYO HZ2 HZ2 H 0 1 N N N N N N 60.485 -138.259 42.769 -5.524 -0.491 0.115  HZ2 LYO 24 
LYO HXT HXT H 0 1 N Y N Y N Y 62.823 -135.589 41.497 3.947  -1.973 0.123  HXT LYO 25 
# 
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 
LYO N   CA  SING N N 1  
LYO CA  C   SING N N 2  
LYO CA  CB  SING N N 3  
LYO C   O   DOUB N N 4  
LYO CB  CG  SING N N 5  
LYO CG  OG  SING N N 6  
LYO CG  CD  SING N N 7  
LYO CD  CE  SING N N 8  
LYO CE  NZ  SING N N 9  
LYO C   OXT SING N N 10 
LYO N   H   SING N N 11 
LYO N   H2  SING N N 12 
LYO CA  HA  SING N N 13 
LYO CB  HB1 SING N N 14 
LYO CB  HB2 SING N N 15 
LYO CG  HG  SING N N 16 
LYO OG  HOG SING N N 17 
LYO CD  HD1 SING N N 18 
LYO CD  HD2 SING N N 19 
LYO CE  HE1 SING N N 20 
LYO CE  HE2 SING N N 21 
LYO NZ  HZ1 SING N N 22 
LYO NZ  HZ2 SING N N 23 
LYO OXT HXT SING N N 24 
# 
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 
LYO SMILES           ACDLabs              12.01 "O=C(O)C(N)CC(O)CCN"                                                                   
LYO SMILES_CANONICAL CACTVS               3.370 "NCC[C@H](O)C[C@H](N)C(O)=O"                                                           
LYO SMILES           CACTVS               3.370 "NCC[CH](O)C[CH](N)C(O)=O"                                                             
LYO SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C(CN)C(C[C@@H](C(=O)O)N)O"                                                            
LYO SMILES           "OpenEye OEToolkits" 1.7.0 "C(CN)C(CC(C(=O)O)N)O"                                                                 
LYO InChI            InChI                1.03  "InChI=1S/C6H14N2O3/c7-2-1-4(9)3-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5-/m0/s1" 
LYO InChIKey         InChI                1.03  ASYBZHICIMVQII-WHFBIAKZSA-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 
LYO "SYSTEMATIC NAME" ACDLabs              12.01 "(4S)-4-hydroxy-L-lysine"                      
LYO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "(2S)-2,6-bis(azanyl)-4-hydroxy-hexanoic 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 
LYO "Create component"   2011-03-28 EBI  
LYO "Modify descriptor"  2011-06-04 RCSB 
LYO "Initial release"    2012-10-19 RCSB 
LYO "Other modification" 2019-04-14 EBI  
LYO "Modify backbone"    2023-11-03 PDBE 
LYO "Modify PCM"         2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            LYO 
_pdbx_chem_comp_pcm.modified_residue_id                LYS 
_pdbx_chem_comp_pcm.type                               Hydroxylation 
_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     PTM-0664 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
