› 2h2g

X-ray diffraction
1.63Å resolution

The Structural Basis of Sirtuin substrate affinity

Released:
DOI: 10.2210/pdb2h2g/pdb
PDB entry 2h2g coloured by chain, front view.
PDB entry 2h2g coloured by chain, side view.
PDB entry 2h2g coloured by chain, top view.
Source organisms:
Primary publication:
The structural basis of sirtuin substrate affinity.
Cosgrove MS, Bever K, Avalos JL, Muhammad S, Zhang X, Wolberger C
Biochemistry 45 7511-21 (2006)
PMID: 16768447

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:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158418 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
NAD-dependent protein deacetylase Chain: A
Molecule details ›
Chain: A
Length: 246 amino acids
Theoretical weight: 27.57 KDa
Source organism: Thermotoga maritima
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9WYW0 (Residues: 1-246; Coverage: 100%)
Gene names: TM_0490, cobB, sir2
Sequence domains: Sir2 family
Structure domains:
Histone H3 Chain: B
Molecule details ›
Chain: B
Length: 11 amino acids
Theoretical weight: 1.37 KDa
Source organism: Saccharomyces cerevisiae S288C
Expression system: Not provided
UniProt:
  • Canonical: P61830 (Residues: 114-124; Coverage: 8%)
Gene names: HHT1, HHT2, N2749, SIN2, YBR010W, YBR0201, YNL031C

Ligands and Environments

1 bound ligand:
Ligand ZN 2 x ZN
1 modified residue:
Ligand ALY 1 x ALY

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 14-BM-D
Spacegroup: P212121
Unit cell:
a: 46.223Å b: 58.149Å c: 109.062Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.198 0.226
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

17 review citations

Protein binding specificity versus promiscuity.
Schreiber et al. (2011)
16 more

2 mentions without citation

Modulation of epigenetic targets for anticancer therapy: clinicopathological relevance, structural data and drug discovery perspectives.
Andreoli et al. (2013)
1 more