data_LYZ
# 
_chem_comp.id                                    LYZ 
_chem_comp.name                                  5-HYDROXYLYSINE 
_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                     1999-07-08 
_chem_comp.pdbx_modified_date                    2009-01-07 
_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                     LYZ 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1QGW 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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.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 
LYZ N   N   N 0 1 N N N 17.961 47.415 21.951 -1.859 0.261  -1.666 N   LYZ 1  
LYZ CA  CA  C 0 1 N N S 16.666 47.930 22.340 -0.411 0.504  -1.613 CA  LYZ 2  
LYZ C   C   C 0 1 N N N 15.596 47.795 21.264 0.237  -0.061 -2.849 C   LYZ 3  
LYZ O   O   O 0 1 N N N 14.487 48.310 21.421 -0.243 -1.025 -3.397 O   LYZ 4  
LYZ CB  CB  C 0 1 N N N 16.752 49.385 22.839 0.174  -0.172 -0.373 CB  LYZ 5  
LYZ CG  CG  C 0 1 N N N 17.680 49.561 24.034 -0.485 0.402  0.881  CG  LYZ 6  
LYZ CD  CD  C 0 1 N N R 18.168 50.988 24.182 0.100  -0.275 2.121  CD  LYZ 7  
LYZ CE  CE  C 0 1 N N N 19.047 51.131 25.418 -0.558 0.300  3.376  CE  LYZ 8  
LYZ NZ  NZ  N 0 1 N N N 19.374 52.580 25.620 0.003  -0.350 4.567  NZ  LYZ 9  
LYZ OH  OH  O 0 1 N N N 16.932 51.595 24.631 1.509  -0.038 2.173  OH  LYZ 10 
LYZ OXT OXT O 0 1 N Y N 15.840 47.022 20.208 1.350  0.504  -3.342 OXT LYZ 11 
LYZ H   H   H 0 1 N N N 18.677 47.505 22.671 -2.236 0.561  -0.779 H   LYZ 12 
LYZ H2  HN2 H 0 1 N Y N 18.271 47.847 21.081 -1.984 -0.738 -1.711 H2  LYZ 13 
LYZ HA  HA  H 0 1 N N N 16.343 47.280 23.186 -0.225 1.577  -1.564 HA  LYZ 14 
LYZ HB2 1HB H 0 1 N N N 17.041 50.071 22.009 1.248  0.007  -0.334 HB2 LYZ 15 
LYZ HB3 2HB H 0 1 N N N 15.736 49.786 23.064 -0.012 -1.245 -0.422 HB3 LYZ 16 
LYZ HG2 1HG H 0 1 N N N 17.198 49.201 24.973 -1.559 0.222  0.842  HG2 LYZ 17 
LYZ HG3 2HG H 0 1 N N N 18.535 48.846 23.987 -0.298 1.475  0.931  HG3 LYZ 18 
LYZ HD  HD  H 0 1 N N N 18.697 51.367 23.276 -0.086 -1.347 2.072  HD  LYZ 19 
LYZ HE2 1HE H 0 1 N N N 18.585 50.669 26.322 -1.633 0.119  3.337  HE2 LYZ 20 
LYZ HE3 2HE H 0 1 N N N 19.960 50.493 25.365 -0.372 1.372  3.426  HE3 LYZ 21 
LYZ HZ1 1HZ H 0 1 N N N 19.962 52.675 26.447 -0.457 0.058  5.366  HZ1 LYZ 22 
LYZ HZ2 2HZ H 0 1 N N N 18.538 53.163 25.667 -0.280 -1.317 4.531  HZ2 LYZ 23 
LYZ HH  HO  H 0 1 N N N 17.237 52.489 24.723 1.630  0.920  2.215  HH  LYZ 24 
LYZ HXT HXT H 0 1 N Y N 15.172 46.937 19.537 1.767  0.140  -4.135 HXT LYZ 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 
LYZ N   CA  SING N N 1  
LYZ N   H   SING N N 2  
LYZ N   H2  SING N N 3  
LYZ CA  C   SING N N 4  
LYZ CA  CB  SING N N 5  
LYZ CA  HA  SING N N 6  
LYZ C   O   DOUB N N 7  
LYZ C   OXT SING N N 8  
LYZ CB  CG  SING N N 9  
LYZ CB  HB2 SING N N 10 
LYZ CB  HB3 SING N N 11 
LYZ CG  CD  SING N N 12 
LYZ CG  HG2 SING N N 13 
LYZ CG  HG3 SING N N 14 
LYZ CD  CE  SING N N 15 
LYZ CD  OH  SING N N 16 
LYZ CD  HD  SING N N 17 
LYZ CE  NZ  SING N N 18 
LYZ CE  HE2 SING N N 19 
LYZ CE  HE3 SING N N 20 
LYZ NZ  HZ1 SING N N 21 
LYZ NZ  HZ2 SING N N 22 
LYZ OH  HH  SING N N 23 
LYZ 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 
LYZ SMILES           ACDLabs              10.04 "O=C(O)C(N)CCC(O)CN"                                                                         
LYZ InChI            InChI                1.02b "InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1/f/h10H" 
LYZ InChIKey         InChI                1.02b YSMODUONRAFBET-WWAHYGGVDS                                                                    
LYZ SMILES_CANONICAL CACTVS               3.341 "NC[C@H](O)CC[C@H](N)C(O)=O"                                                                 
LYZ SMILES           CACTVS               3.341 "NC[CH](O)CC[CH](N)C(O)=O"                                                                   
LYZ SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C(C[C@@H](C(=O)O)N)[C@H](CN)O"                                                              
LYZ SMILES           "OpenEye OEToolkits" 1.5.0 "C(CC(C(=O)O)N)C(CN)O"                                                                       
# 
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 
LYZ "SYSTEMATIC NAME" ACDLabs              10.04 "(5R)-5-hydroxy-L-lysine"                     
LYZ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,5R)-2,6-diamino-5-hydroxy-hexanoic acid" 
# 
