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 2023-11-03 _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 # 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 #