9FRU
Crystal structure of human Sirt2 in complex with a pyrazole-based fragment inhibitor and NAD+
This is a non-PDB format compatible entry.
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, E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 4 | D (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | F (A) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 1 | Chemie (NAD) | |||
| 6 | G (A) | [2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol | non-polymer | 256.2 | 1 | Chemie (A1IBW) | |||
| 7 | H (A) | water | water | 18.0 | 132 | 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 | 6 |
| Total formula weight | 1187.3 | |
| All* | Total formula weight | 35604.1 |
