› 6xvg

X-ray diffraction
2.1Å resolution

Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801

Released:
DOI: 10.2210/pdb6xvg/pdb
PDB entry 6xvg coloured by chain, front view.
PDB entry 6xvg coloured by chain, side view.
PDB entry 6xvg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Binding site for activator MDL-801 on SIRT6.
You W, Steegborn C
Nat Chem Biol 17 519-521 (2021)
PMID: 33649599

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, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 316 amino acids
Theoretical weight: 35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8N6T7 (Residues: 3-318; Coverage: 89%)
Gene names: SIR2L6, SIRT6
Sequence domains: Sir2 family

Ligands and Environments

5 bound ligands:
Ligand AR6 6 x AR6
Ligand ZN 6 x ZN
Ligand GOL 8 x GOL
Ligand 8L9 6 x 8L9
Ligand SO4 13 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P21
Unit cell:
a: 89.51Å b: 136.534Å c: 89.873Å
α: 90° β: 117.71° γ: 90°
R-values:
R R work R free
0.205 0.204 0.23
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Sirtuins in atherosclerosis: guardians of healthspan and therapeutic targets.
Grootaert et al. (2022)
2 more

1 mention without citation

Emerging Therapeutic Potential of SIRT6 Modulators.
Fiorentino et al. (2021)