data_LYS # _chem_comp.id LYS _chem_comp.name LYSINE _chem_comp.type "L-PEPTIDE LINKING" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C6 H15 N2 O2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 1 _chem_comp.pdbx_initial_date 1999-07-08 _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 147.195 _chem_comp.one_letter_code K _chem_comp.three_letter_code LYS _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 ? _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.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 LYS N N N 0 1 N N N Y Y N 37.577 40.385 -3.968 1.422 1.796 0.198 N LYS 1 LYS CA CA C 0 1 N N S Y N N 38.631 39.459 -4.356 1.394 0.355 0.484 CA LYS 2 LYS C C C 0 1 N N N Y N Y 38.094 38.304 -5.212 2.657 -0.284 -0.032 C LYS 3 LYS O O O 0 1 N N N Y N Y 36.873 38.235 -5.490 3.316 0.275 -0.876 O LYS 4 LYS CB CB C 0 1 N N N N N N 39.374 38.919 -3.139 0.184 -0.278 -0.206 CB LYS 5 LYS CG CG C 0 1 N N N N N N 38.523 38.111 -2.181 -1.102 0.282 0.407 CG LYS 6 LYS CD CD C 0 1 N N N N N N 39.164 36.749 -1.903 -2.313 -0.351 -0.283 CD LYS 7 LYS CE CE C 0 1 N N N N N N 38.106 35.761 -1.382 -3.598 0.208 0.329 CE LYS 8 LYS NZ NZ N 1 1 N N N N N N 37.176 36.546 -0.539 -4.761 -0.400 -0.332 NZ LYS 9 LYS OXT OXT O 0 1 N Y N Y N Y 38.961 37.678 -5.886 3.050 -1.476 0.446 OXT LYS 10 LYS H H H 0 1 N N N Y Y N 37.933 41.152 -3.399 1.489 1.891 -0.804 H LYS 11 LYS H2 HN2 H 0 1 N Y N Y Y N 36.812 39.900 -3.498 0.521 2.162 0.464 H2 LYS 12 LYS HA HA H 0 1 N N N Y N N 39.352 40.037 -4.979 1.322 0.200 1.560 HA LYS 13 LYS HB2 1HB H 0 1 N N N N N N 40.262 38.326 -3.460 0.210 -0.047 -1.270 HB2 LYS 14 LYS HB3 2HB H 0 1 N N N N N N 39.882 39.750 -2.596 0.211 -1.359 -0.068 HB3 LYS 15 LYS HG2 1HG H 0 1 N N N N N N 38.317 38.670 -1.238 -1.128 0.050 1.471 HG2 LYS 16 LYS HG3 2HG H 0 1 N N N N N N 37.474 38.007 -2.546 -1.130 1.363 0.269 HG3 LYS 17 LYS HD2 1HD H 0 1 N N N N N N 39.701 36.351 -2.795 -2.287 -0.120 -1.348 HD2 LYS 18 LYS HD3 2HD H 0 1 N N N N N N 40.034 36.831 -1.210 -2.285 -1.432 -0.145 HD3 LYS 19 LYS HE2 1HE H 0 1 N N N N N N 37.593 35.194 -2.194 -3.625 -0.023 1.394 HE2 LYS 20 LYS HE3 2HE H 0 1 N N N N N N 38.544 34.882 -0.854 -3.626 1.289 0.192 HE3 LYS 21 LYS HZ1 1HZ H 0 1 N N N N N N 36.474 35.891 -0.193 -4.736 -0.185 -1.318 HZ1 LYS 22 LYS HZ2 2HZ H 0 1 N N N N N N 37.644 37.064 0.203 -4.735 -1.400 -0.205 HZ2 LYS 23 LYS HZ3 3HZ H 0 1 N N N N N N 36.774 37.350 -1.021 -5.609 -0.031 0.071 HZ3 LYS 24 LYS HXT HXT H 0 1 N Y N Y N Y 38.628 36.963 -6.415 3.861 -1.886 0.115 HXT LYS 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 LYS N CA SING N N 1 LYS N H SING N N 2 LYS N H2 SING N N 3 LYS CA C SING N N 4 LYS CA CB SING N N 5 LYS CA HA SING N N 6 LYS C O DOUB N N 7 LYS C OXT SING N N 8 LYS CB CG SING N N 9 LYS CB HB2 SING N N 10 LYS CB HB3 SING N N 11 LYS CG CD SING N N 12 LYS CG HG2 SING N N 13 LYS CG HG3 SING N N 14 LYS CD CE SING N N 15 LYS CD HD2 SING N N 16 LYS CD HD3 SING N N 17 LYS CE NZ SING N N 18 LYS CE HE2 SING N N 19 LYS CE HE3 SING N N 20 LYS NZ HZ1 SING N N 21 LYS NZ HZ2 SING N N 22 LYS NZ HZ3 SING N N 23 LYS 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 LYS SMILES ACDLabs 10.04 "O=C(O)C(N)CCCC[NH3+]" LYS SMILES_CANONICAL CACTVS 3.341 "N[C@@H](CCCC[NH3+])C(O)=O" LYS SMILES CACTVS 3.341 "N[CH](CCCC[NH3+])C(O)=O" LYS SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C(CC[NH3+])C[C@@H](C(=O)O)N" LYS SMILES "OpenEye OEToolkits" 1.5.0 "C(CC[NH3+])CC(C(=O)O)N" LYS InChI InChI 1.03 "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1" LYS InChIKey InChI 1.03 KDXKERNSBIXSRK-YFKPBYRVSA-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 LYS "SYSTEMATIC NAME" ACDLabs 10.04 6-ammonio-L-norleucine LYS "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]azanium" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site LYS "Create component" 1999-07-08 RCSB LYS "Modify descriptor" 2011-06-04 RCSB LYS "Modify backbone" 2023-11-03 PDBE #