Human Sirt6 in complex with ADP-ribose and the inhibitor trichostatin A

Structure

x-ray diffraction · resolution 1.7 · 2 distinct chains · 31% helix, 15% strand (DSSP).

Ligands and binding sites

• AR6 · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate · ligand · 2 copies · chains A, B
• TSN · Trichostatin A · ligand · 2 copies · chains A, B
• ZN · Zinc ion · metal · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 7 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
• PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1090 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

• 6HOY · Human SIRT6 in complex with ADP-ribose and the inhibitor trichostatin a · the same entry in another collection · chain A against A, TM-score 1.00
• Q8N6T7 · AlphaFold monomer V2.0 prediction for NAD-dependent protein deacetylase sirtuin-6 (Q8N6T7) · a predicted model of the same protein · chain B against A, TM-score 1.00

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 Q8N6T7
• Elsewhere: RCSB PDB 6HOY · PDBe 6HOY · UniProt Q8N6T7