› 4o8z

X-ray diffraction
2Å resolution

Crystal structure of human SIRT3 in complex with compound (2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone

Released:
DOI: 10.2210/pdb4o8z/pdb
PDB entry 4o8z coloured by chain, front view.
PDB entry 4o8z coloured by chain, side view.
PDB entry 4o8z coloured by chain, top view.
Source organism: Homo sapiens
Entry author: Liu B

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-192599 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD-dependent protein deacetylase sirtuin-3, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 303 amino acids
Theoretical weight: 33.91 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q9NTG7 (Residues: 116-399; Coverage: 71%)
Gene names: SIR2L3, SIRT3
Sequence domains: Sir2 family
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ZN 1 x ZN
Ligand BBI 1 x BBI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P65
Unit cell:
a: 116.317Å b: 116.317Å c: 45.655Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.169 0.167 0.204
Expression system: Escherichia coli BL21

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