data_FHO
# 
_chem_comp.id                                    FHO 
_chem_comp.name                                  N^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINE 
_chem_comp.type                                  "L-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H12 N2 O4" 
_chem_comp.mon_nstd_parent_comp_id               LYS 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2008-10-14 
_chem_comp.pdbx_modified_date                    2023-11-03 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        176.170 
_chem_comp.one_letter_code                       K 
_chem_comp.three_letter_code                     FHO 
_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        2W16 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
FHO N    N    N 0 1 N N N Y Y N -67.314 -40.942 18.079 1.894  1.713  0.512  N    FHO 1  
FHO CA   CA   C 0 1 N N S Y N N -66.109 -41.568 18.586 2.017  0.249  0.520  CA   FHO 2  
FHO CB   CB   C 0 1 N N N N N N -65.267 -40.395 19.057 0.951  -0.357 -0.395 CB   FHO 3  
FHO CG   CG   C 0 1 N N N N N N -63.823 -40.523 18.591 -0.438 -0.065 0.178  CG   FHO 4  
FHO CD   CD   C 0 1 N N N N N N -63.309 -39.154 18.165 -1.504 -0.671 -0.736 CD   FHO 5  
FHO NE   NE   N 0 1 N N N N N N -63.145 -38.296 19.346 -2.833 -0.391 -0.188 NE   FHO 6  
FHO OZ   OZ   O 0 1 N N N N N N -64.057 -37.546 19.672 -3.566 -1.420 0.453  OZ   FHO 7  
FHO CZ   CZ   C 0 1 N N N N N N -62.064 -38.295 20.008 -3.359 0.845  -0.294 CZ   FHO 8  
FHO OH   OH   O 0 1 N N N N N N -61.955 -37.563 20.977 -4.460 1.077  0.160  OH   FHO 9  
FHO C    C    C 0 1 N N N Y N Y -66.358 -42.492 19.733 3.386  -0.142 0.024  C    FHO 10 
FHO O    O    O 0 1 N N N Y N Y -67.402 -42.410 20.386 4.037  0.637  -0.630 O    FHO 11 
FHO OXT  OXT  O 0 1 N Y N Y N Y -65.381 -43.354 20.019 3.880  -1.357 0.308  OXT  FHO 12 
FHO H    HN1  H 0 1 N N N Y Y N -67.957 -40.798 18.831 2.546  2.134  1.157  HN1  FHO 13 
FHO H2   HN2  H 0 1 N Y N Y Y N -67.083 -40.062 17.665 2.019  2.081  -0.419 HN2  FHO 14 
FHO HA   HA   H 0 1 N N N Y N N -65.637 -42.191 17.812 1.879  -0.122 1.535  HA   FHO 15 
FHO HB1C HB1C H 0 0 N N N N N N -65.691 -39.467 18.647 1.033  0.080  -1.389 HB1C FHO 16 
FHO HB2C HB2C H 0 0 N N N N N N -65.276 -40.381 20.157 1.098  -1.435 -0.459 HB2C FHO 17 
FHO HG1C HG1C H 0 0 N N N N N N -63.204 -40.909 19.414 -0.520 -0.503 1.173  HG1C FHO 18 
FHO HG2C HG2C H 0 0 N N N N N N -63.771 -41.218 17.740 -0.584 1.013  0.242  HG2C FHO 19 
FHO HD1C HD1C H 0 0 N N N N N N -62.339 -39.269 17.660 -1.422 -0.234 -1.731 HD1C FHO 20 
FHO HD2C HD2C H 0 0 N N N N N N -64.032 -38.692 17.477 -1.357 -1.750 -0.800 HD2C FHO 21 
FHO HZ   HZ   H 0 1 N N N N N N -61.246 -38.937 19.716 -2.801 1.629  -0.783 HZ   FHO 22 
FHO HXT  HOT  H 0 1 N Y N Y N Y -65.624 -43.868 20.780 4.762  -1.563 -0.031 HOT  FHO 23 
FHO HOZ  H2   H 0 1 N N N N N N -63.992 -37.352 20.600 -4.431 -1.140 0.782  H2   FHO 24 
# 
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 
FHO N   CA   SING N N 1  
FHO CA  CB   SING N N 2  
FHO CA  C    SING N N 3  
FHO CB  CG   SING N N 4  
FHO CG  CD   SING N N 5  
FHO CD  NE   SING N N 6  
FHO NE  OZ   SING N N 7  
FHO NE  CZ   SING N N 8  
FHO CZ  OH   DOUB N N 9  
FHO C   O    DOUB N N 10 
FHO C   OXT  SING N N 11 
FHO N   H    SING N N 12 
FHO N   H2   SING N N 13 
FHO CA  HA   SING N N 14 
FHO CB  HB1C SING N N 15 
FHO CB  HB2C SING N N 16 
FHO CG  HG1C SING N N 17 
FHO CG  HG2C SING N N 18 
FHO CD  HD1C SING N N 19 
FHO CD  HD2C SING N N 20 
FHO CZ  HZ   SING N N 21 
FHO OZ  HOZ  SING N N 22 
FHO OXT HXT  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 
FHO SMILES           ACDLabs              10.04 "O=C(O)C(N)CCCN(O)C=O"                                                                
FHO SMILES_CANONICAL CACTVS               3.341 "N[C@@H](CCCN(O)C=O)C(O)=O"                                                           
FHO SMILES           CACTVS               3.341 "N[CH](CCCN(O)C=O)C(O)=O"                                                             
FHO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C(C[C@@H](C(=O)O)N)CN(C=O)O"                                                         
FHO SMILES           "OpenEye OEToolkits" 1.5.0 "C(CC(C(=O)O)N)CN(C=O)O"                                                              
FHO InChI            InChI                1.03  "InChI=1S/C6H12N2O4/c7-5(6(10)11)2-1-3-8(12)4-9/h4-5,12H,1-3,7H2,(H,10,11)/t5-/m0/s1" 
FHO InChIKey         InChI                1.03  KORLZEIJSHHTDW-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 
FHO "SYSTEMATIC NAME" ACDLabs              10.04 N~5~-formyl-N~5~-hydroxy-L-ornithine                     
FHO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-2-amino-5-(hydroxy-methanoyl-amino)pentanoic 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 
FHO "Create component"  2008-10-14 EBI  
FHO "Modify descriptor" 2011-06-04 RCSB 
FHO "Modify backbone"   2023-11-03 PDBE 
# 
