Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T83904 | Target Info | |||
| Target Name | NAD-dependent deacetylase sirtuin-2 (SIRT2) | ||||
| Synonyms | SIR2like protein 2; SIR2L2; SIR2L; SIR2-like protein 2; Regulatory protein SIR2 homolog 2; NADdependent protein deacetylase sirtuin2; NAD-dependent protein deacetylase sirtuin-2 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | SIRT2 | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N6-Acetyl-L-lysine | Ligand Info | |||
| Canonical SMILES | CC(=O)NCCCCC(C(=O)O)N | ||||
| InChI | 1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 | ||||
| InChIKey | DTERQYGMUDWYAZ-ZETCQYMHSA-N | ||||
| PubChem Compound ID | 92832 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4RMH Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [1] |
| PDB Sequence |
ERLLDELTLE
65 GVARYMQSER75 CRRVICLVGA85 GISTSAGIPD95 FRSPSTGLYD105 NKYHLPYPEA 117 IFEISYFKKH127 PEPFFALAKE137 LYPGQFKPTI147 CHYFMRLLKD157 KGLLLRCYTQ 167 NIDTLERIAG177 LEQEDLVEAH187 GTFYTSHCVS197 ASCRHEYPLS207 WMKEKIFSEV 217 TPKCEDCQSL227 VKPDIVFFGE237 SLPARFFSCM247 QSDFLKVDLL257 LVMGTSLQVQ 267 PFASLISKAP277 LSTPRLLINK287 EKAGQSDPFL297 GGMDFDSKKA314 YRDVAWLGEC 324 DQGCLALAEL334 LGWKKELEDL344 VRREHASIDA354 QS
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| PDB ID: 4RMI Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [1] |
| PDB Sequence |
ERLLDELTLE
65 GVARYMQSER75 CRRVICLVGA85 GISTSAGIPD95 FRSPSTGFEI121 SYFKKHPEPF 131 FALAKELYPG141 QFKPTICHYF151 MRLLKDKGLL161 LRCYTQNIDT171 LERIAGLEQE 181 DLVEAHGTFY191 TSHCVSASCR201 HEYPLSWMKE211 KIFSEVTPKC221 EDCQSLVKPD 231 IVFFGESLPA241 RFFSCMQSDF251 LKVDLLLVMG261 TSLQVQPFAS271 LISKAPLSTP 281 RLLINKEKAG291 QSDPFLGGGM307 DFDSKKAYRD317 VAWLGECDQG327 CLALAELLGW 337 KKELEDLVRR347 EHASIDAQ
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun. 2015 Feb 12;6:6263. | ||||
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