5MAT
Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone 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, B (A, C) | NAD-dependent protein deacetylase sirtuin-2 | polymer | 303 | 34359.7 | 2 | UniProt (Q8IXJ6) Pfam (PF02146) | Homo sapiens (Human) | Regulatory protein SIR2 homolog 2,SIR2-like protein 2 |
| 2 | C, N (A, C) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D (A) | (7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | non-polymer | 500.6 | 1 | Chemie (7KJ) | |||
| 4 | E, F, G, H, I... (A, C) | SULFATE ION | non-polymer | 96.1 | 14 | Chemie (SO4) | |||
| 5 | M (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 6 | O (C) | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 1 | Chemie (P6G) | |||
| 7 | V, W (A, C) | water | water | 18.0 | 440 | Chemie (HOH) |
Sequence modifications
A, C: 56 - 356 (UniProt: Q8IXJ6)
| PDB | External Database | Details |
|---|---|---|
| His 54 | - | expression tag |
| Met 55 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 68719.4 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 2452.9 | |
| All* | Total formula weight | 71172.2 |
