5DY4
Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | NAD-dependent protein deacetylase sirtuin-2 | polymer | 304 | 34416.7 | 1 | UniProt (Q8IXJ6) Pfam (PF02146) | Homo sapiens (Human) | Regulatory protein SIR2 homolog 2,SIR2-like protein 2 |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C (A) | N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide | non-polymer | 499.4 | 1 | Chemie (5GN) | |||
| 4 | D (A) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 1 | Chemie (NAD) | |||
| 5 | E (A) | water | water | 18.0 | 183 | 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 | 3 |
| Total formula weight | 1228.3 | |
| All* | Total formula weight | 35645.0 |
