data_SLL # _chem_comp.id SLL _chem_comp.name "(2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid" _chem_comp.type "L-peptide linking" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C10 H18 N2 O5" _chem_comp.mon_nstd_parent_comp_id LYS _chem_comp.pdbx_synonyms 6-N-succinyl-L-lysine _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2010-03-04 _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 246.260 _chem_comp.one_letter_code ? _chem_comp.three_letter_code SLL _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 3LTT _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # 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 SLL C C C 0 1 N N N Y N Y -13.277 3.582 -71.361 -6.032 -0.453 -0.056 C SLL 1 SLL N N N 0 1 N N N Y Y N -12.305 5.702 -71.919 -4.914 1.564 0.710 N SLL 2 SLL O O O 0 1 N N N Y N Y -14.081 3.553 -72.304 -6.681 -0.404 0.962 O SLL 3 SLL CA CA C 0 1 N N S Y N N -12.771 4.895 -70.799 -4.826 0.435 -0.226 CA SLL 4 SLL CB CB C 0 1 N N N N N N -13.874 5.730 -70.137 -3.557 -0.369 0.062 CB SLL 5 SLL CD CD C 0 1 N N N N N N -15.440 5.767 -68.125 -1.059 -0.308 0.058 CD SLL 6 SLL CE CE C 0 1 N N N N N N -15.870 5.111 -66.819 0.169 0.557 -0.235 CE SLL 7 SLL CG CG C 0 1 N N N N N N -14.382 4.957 -68.872 -2.329 0.496 -0.230 CG SLL 8 SLL CK CK C 0 1 N N N N N N -18.536 6.494 -64.460 3.846 -0.441 0.137 CK SLL 9 SLL CL CL C 0 1 N N N N N N -19.813 5.679 -64.653 5.074 0.423 -0.155 CL SLL 10 SLL CP CP C 0 1 N N N N N N -20.888 6.086 -63.678 6.325 -0.368 0.128 CP SLL 11 SLL CX CX C 0 1 N N N N N N -17.409 5.588 -64.968 2.595 0.350 -0.147 CX SLL 12 SLL OX OX O 0 1 N N N N N N -16.956 4.638 -64.302 2.678 1.493 -0.544 OX SLL 13 SLL NZ NZ N 0 1 N N N N N N -16.930 5.919 -66.169 1.385 -0.212 0.041 NZ SLL 14 SLL OP1 OP1 O 0 1 N N N N N N -20.629 6.213 -62.465 6.242 -1.507 0.523 OP1 SLL 15 SLL OP2 OP2 O 0 1 N N N N N N -22.062 6.290 -64.141 7.530 0.192 -0.059 OP2 SLL 16 SLL OXT OXT O 0 1 N Y N Y N Y -12.808 2.477 -70.772 -6.382 -1.304 -1.034 OXT SLL 17 SLL H H H 0 1 N N N Y Y N -11.963 6.578 -71.580 -4.946 1.240 1.665 HN SLL 18 SLL H2 H2 H 0 1 N Y N Y Y N -11.569 5.219 -72.394 -4.150 2.208 0.572 H2 SLL 19 SLL HA HA H 0 1 N N N Y N N -11.999 4.651 -70.054 -4.794 0.812 -1.248 HA SLL 20 SLL HB HB H 0 1 N N N N N N -13.474 6.711 -69.840 -3.547 -0.671 1.109 HB SLL 21 SLL HBA HBA H 0 1 N N N N N N -14.705 5.880 -70.843 -3.536 -1.255 -0.572 HBA SLL 22 SLL HD HD H 0 1 N N N N N N -16.324 5.864 -68.772 -1.038 -1.194 -0.576 HD SLL 23 SLL HDA HDA H 0 1 N N N N N N -15.020 6.757 -67.894 -1.050 -0.609 1.105 HDA SLL 24 SLL HE HE H 0 1 N N N N N N -16.259 4.104 -67.029 0.160 0.859 -1.282 HE SLL 25 SLL HEA HEA H 0 1 N N N N N N -15.003 5.040 -66.146 0.148 1.444 0.399 HEA SLL 26 SLL HG HG H 0 1 N N N N N N -14.822 4.001 -69.190 -2.338 0.798 -1.278 HG SLL 27 SLL HGA HGA H 0 1 N N N N N N -13.531 4.773 -68.199 -2.349 1.382 0.404 HGA SLL 28 SLL HK HK H 0 1 N N N N N N -18.576 7.432 -65.033 3.866 -1.328 -0.497 HK SLL 29 SLL HKA HKA H 0 1 N N N N N N -18.388 6.751 -63.401 3.855 -0.743 1.184 HKA SLL 30 SLL HL HL H 0 1 N N N N N N -20.184 5.841 -65.676 5.064 0.725 -1.203 HL SLL 31 SLL HLA HLA H 0 1 N N N N N N -19.580 4.615 -64.498 5.053 1.310 0.478 HLA SLL 32 SLL HNZ HNZ H 0 1 N N N N N N -17.292 6.725 -66.638 1.319 -1.127 0.358 HNZ SLL 33 SLL HOP2 HOP2 H 0 0 N N N N N N -22.644 6.537 -63.432 8.303 -0.355 0.137 HOP2 SLL 34 SLL HXT HXT H 0 1 N Y N Y N Y -13.185 1.711 -71.189 -7.161 -1.856 -0.878 HXT SLL 35 # 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 SLL C O DOUB N N 1 SLL C CA SING N N 2 SLL C OXT SING N N 3 SLL N CA SING N N 4 SLL CA CB SING N N 5 SLL CB CG SING N N 6 SLL CD CE SING N N 7 SLL CD CG SING N N 8 SLL CE NZ SING N N 9 SLL CK CL SING N N 10 SLL CK CX SING N N 11 SLL CL CP SING N N 12 SLL CP OP1 DOUB N N 13 SLL CP OP2 SING N N 14 SLL CX OX DOUB N N 15 SLL CX NZ SING N N 16 SLL N H SING N N 17 SLL N H2 SING N N 18 SLL CA HA SING N N 19 SLL CB HB SING N N 20 SLL CB HBA SING N N 21 SLL CD HD SING N N 22 SLL CD HDA SING N N 23 SLL CE HE SING N N 24 SLL CE HEA SING N N 25 SLL CG HG SING N N 26 SLL CG HGA SING N N 27 SLL CK HK SING N N 28 SLL CK HKA SING N N 29 SLL CL HL SING N N 30 SLL CL HLA SING N N 31 SLL NZ HNZ SING N N 32 SLL OP2 HOP2 SING N N 33 SLL OXT HXT SING N N 34 # 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 SLL SMILES ACDLabs 12.01 "O=C(O)C(N)CCCCNC(=O)CCC(=O)O" SLL SMILES_CANONICAL CACTVS 3.370 "N[C@@H](CCCCNC(=O)CCC(O)=O)C(O)=O" SLL SMILES CACTVS 3.370 "N[CH](CCCCNC(=O)CCC(O)=O)C(O)=O" SLL SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C(CCNC(=O)CCC(=O)O)C[C@@H](C(=O)O)N" SLL SMILES "OpenEye OEToolkits" 1.7.0 "C(CCNC(=O)CCC(=O)O)CC(C(=O)O)N" SLL InChI InChI 1.03 "InChI=1S/C10H18N2O5/c11-7(10(16)17)3-1-2-6-12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1" SLL InChIKey InChI 1.03 ZAFOVBXOMIXMTH-ZETCQYMHSA-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 SLL "SYSTEMATIC NAME" ACDLabs 12.01 "N~6~-(3-carboxypropanoyl)-L-lysine" SLL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "(2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]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 SLL "Create component" 2010-03-04 PDBJ SLL "Modify descriptor" 2011-06-04 RCSB SLL "Modify synonyms" 2020-06-05 PDBE SLL "Modify backbone" 2023-11-03 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id SLL _pdbx_chem_comp_synonyms.name 6-N-succinyl-L-lysine _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? #