8PY3
Crystal structure of human Sirt2 in complex with a 1,2,4-oxadiazole based inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | NAD-dependent protein deacetylase sirtuin-2 | polymer | 304 | 34416.7 | 1 | UniProt (Q8IXJ6) Pfam (PF02146) In PDB | Homo sapiens (human) | Regulatory protein SIR2 homolog 2,SIR2-like protein 2 |
| 2 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | A | 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide | non-polymer | 519.0 | 1 | Chemie (I1R) | |||
| 4 | A | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 209.2 | 1 | Chemie (BTB) | |||
| 5 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 6 | water | water | 18.0 | 211 | Chemie (HOH) |
Sequence modifications
A: 56 - 356 (UniProt: Q8IXJ6)
| PDB | External Database | Details |
|---|---|---|
| Gly 53 | - | expression tag |
| His 54 | - | expression tag |
| Met 55 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34416.7 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1104.0 | |
| All* | Total formula weight | 35520.7 |
