PDBe 4bv2

X-ray diffraction
3.3Å resolution

CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE

Released:

Function and Biology Details

Structure analysis Details

Assemblies composition:
monomeric
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
NAD-dependent protein deacetylase Chains: A, B
Molecule details ›
Chains: A, B
Length: 246 amino acids
Theoretical weight: 27.57 KDa
Source organism: Thermotoga maritima
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9WYW0 (Residues: 1-246; Coverage: 100%)
Gene names: TM_0490, cobB, sir2
Sequence domains: Sir2 family
Structure domains:
Cellular tumor antigen p53 Chains: E, H
Molecule details ›
Chains: E, H
Length: 13 amino acids
Theoretical weight: 1.6 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P04637 (Residues: 376-388; Coverage: 3%)
Gene names: P53, TP53

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P43
Unit cell:
a: 45.95Å b: 45.95Å c: 241.87Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.249 0.245 0.318
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided