MolNFT v1 · #10966 · protein
Human SIRT2 histone deacetylase
1J8F · Sirtuin 2, isoform 1: “Human SIRT2 histone deacetylase”. X-ray diffraction, 1 ligand (ZN), 14 pockets (best druggability 0.64). MolNFT v1 #10966 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1J8F
- Type
- protein
- Length
- 927 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sirtuin 2, isoform 1
- UniProt
- Q8IXJ6
- Ligands
- ZN
- Pockets
- 14 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sirtuin 2, isoform 1 | protein | 312 | 42% helix, 15% strand | Q8IXJ6 |
| C | Sirtuin 2, isoform 1 | protein | 303 | 39% helix, 16% strand | Q8IXJ6 |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 452 | 0.64 | 0.77 | 64 | empty |
| 2 | 471 | 0.64 | 0.76 | 63 | empty |
| 3 | 439 | 0.62 | 0.77 | 52 | empty |
| 4 | 454 | 0.60 | 0.75 | 46 | empty |
| 5 | 235 | 0.54 | 0.77 | 23 | empty |
Interfaces
2 interfaces between chains.
- B–C · 326 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 263 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q8IXJ6
- Elsewhere: RCSB PDB 1J8F · PDBe 1J8F · UniProt Q8IXJ6
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