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 #