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 | Tridecanethial | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCC=S | ||||
| InChI | 1S/C13H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3 | ||||
| InChIKey | OPHBCQJSGYOCBI-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 21430713 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4R8M Human SIRT2 crystal structure in complex with BHJH-TM1 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
KERLLDELTL
64 EGVARYMQSE74 RCRRVICLVG84 AGISTSAGIP94 DFRSPSTGLY104 DNLEKYHLPY 114 PEAIFEISYF124 KKHPEPFFAL134 AKELGQFKPT146 ICHYFMRLLK156 DKGLLLRCYT 166 QNIDTLERIA176 GLEQEDLVEA186 HGTFYTSHCV196 SASCRHEYPL206 SWMKEKIFSE 216 VTPKCEDCQS226 LVKPDIVFFG236 ESLPARFFSC246 MQSDFLKVDL256 LLVMGTSLQV 266 QPFASLISKA276 PLSTPRLLIN286 KEKAGQGMDF309 DSKKAYRDVA319 WLGECDQGCL 329 ALAELLGWKK339 ELEDLVRREH349 ASIDAQ
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| PDB ID: 4X3P Sirt2 in complex with a myristoyl peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
| PDB Sequence |
GSQKERLLDE
61 LTLEGVARYM71 QSERCRRVIC81 LVGAGISTSA91 GIPDFRSPST101 GLYDNLEKYH 111 LPYPEAIFEI121 SYFKKHPEPF131 FALAKELYPG141 QFKPTICHYF151 MRLLKDKGLL 161 LRCYTQNIDT171 LERIAGLEQE181 DLVEAHGTFY191 TSHCVSASCR201 HEYPLSWMKE 211 KIFSEVTPKC221 EDCQSLVKPD231 IVFFGESLPA241 RFFSCMQSDF251 LKVDLLLVMG 261 TSLQVQPFAS271 LISKAPLSTP281 RLLINKEKAG291 QSDPFLGGMD308 FDSKKAYRDV 318 AWLGECDQGC328 LALAELLGWK338 KELEDLVRRE348 HASIDAQ
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| PDB ID: 6L66 Sirtuin 2 protein with H3K18 myristoylated peptide and intact NAD molecule | ||||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [3] |
| PDB Sequence |
GSQKERLLDE
61 LTLEGVARYM71 QSQRCRRVIC81 LVGAGISTSA91 GIPDFRSPST101 GLYDNLEKYH 111 LPYPEAIFEI121 SYFKKHPEPF131 FALAKELYPG141 QFKPTICHYF151 MRLLKDKGLL 161 LRCYTQNIDT171 LERIAGLEQE181 DLVEAHGTFY191 TSHCVSASCR201 HEYPLSWMKE 211 KIFSEVTPKC221 EDCQSLVKPD231 IVFFGESLPA241 RFFSCMQSDF251 LKVDLLLVMG 261 TSLQVQPFAS271 LISKAPLSTP281 RLLINKEKAG291 QSDPFLGGGM307 DFDSKKAYRD 317 VAWLGECDQG327 CLALAELLGW337 KKELEDLVRR347 EHASIDAQ
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Efficient demyristoylase activity of SIRT2 revealed by kinetic and structural studies. Sci Rep. 2015 Feb 23;5:8529. | ||||
| REF 2 | Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure. Cell Chem Biol. 2017 Mar 16;24(3):339-345. | ||||
| REF 3 | Sirtuin 2 protein with H3K18 myristoylated peptide | ||||
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