PDBe 4bvg

X-ray diffraction
2.5Å resolution

CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH NATIVE ALKYLIMIDATE FORMED FROM ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527

Released:

Function and Biology Details

Reaction catalysed:
ATP + acetate + CoA = AMP + diphosphate + acetyl-CoA
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assemblies composition:
monomeric
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
NAD-dependent protein deacetylase sirtuin-3, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 284 amino acids
Theoretical weight: 31.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9NTG7 (Residues: 116-399; Coverage: 71%)
Gene names: SIR2L3, SIRT3
Sequence domains: Sir2 family
Structure domains:
Acetyl-coenzyme A synthetase 2-like, mitochondrial Chain: B
Molecule details ›
Chain: B
Length: 10 amino acids
Theoretical weight: 1.21 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9NUB1 (Residues: 638-647; Coverage: 2%)
Gene names: ACAS2L, ACSS1, KIAA1846

Ligands and Environments


No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: C2221
Unit cell:
a: 78.023Å b: 131.329Å c: 76.508Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.182 0.248
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided