› 5mf6

X-ray diffraction
1.87Å resolution

Human Sirt6 in complex with activator UBCS039

Released:
DOI: 10.2210/pdb5mf6/pdb
PDB entry 5mf6 coloured by chain, front view.
PDB entry 5mf6 coloured by chain, side view.
PDB entry 5mf6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
You W, Rotili D, Li TM, Kambach C, Meleshin M, Schutkowski M, Chua KF, Mai A, Steegborn C
Angew Chem Int Ed Engl 56 1007-1011 (2017)
PMID: 27990725

Function and Biology Details

Reaction catalysed: 
(1a) [protein]-N(6)-acetyl-L-lysine + NAD(+) = [protein]-N(6)-(1,1-(5-adenosylyl-alpha-D-ribose-1,2-di-O-yl)ethyl)-L-lysine + nicotinamide
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-185425 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD-dependent protein deacylase sirtuin-6 Chains: A, B
Molecule details ›
Chains: A, B
Length: 302 amino acids
Theoretical weight: 33.63 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8N6T7 (Residues: 13-308; Coverage: 83%)
Gene names: SIR2L6, SIRT6
Sequence domains: Sir2 family
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand AR6 2 x AR6
Ligand ZN 2 x ZN
Ligand SO4 8 x SO4
Ligand EDO 3 x EDO
Ligand PGE 1 x PGE
Ligand 7M2 2 x 7M2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P63
Unit cell:
a: 91.3Å b: 91.3Å c: 144.317Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.191 0.19 0.22
Expression system: Escherichia coli

Quick links

Citations

21 review citations

Lysine Acetylation Goes Global: From Epigenetics to Metabolism and Therapeutics.
Ali et al. (2018)
20 more

9 mentions without citation

Sirtuin activators and inhibitors: Promises, achievements, and challenges.
Dai et al. (2018)
8 more