PDBe 4hyf

X-ray diffraction
2.8Å resolution

Structural basis and SAR for OD 270, a lead stage 1,2,4-triazole based specific Tankyrase1/2 inhibitor

Released:

Function and Biology Details

Reaction catalysed:
NAD(+) + (ADP-D-ribosyl)(n)-acceptor = nicotinamide + (ADP-D- ribosyl)(n+1)-acceptor. 
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tankyrase-2 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 240 amino acids
Theoretical weight: 27.3 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9H2K2 (Residues: 946-1162; Coverage: 19%)
Gene names: PARP5B, TANK2, TNKL, TNKS2
Sequence domains: Poly(ADP-ribose) polymerase catalytic domain
Structure domains: Phosphoenolpyruvate Carboxykinase; domain 3

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P3221
Unit cell:
a: 151.54Å b: 151.54Å c: 140.52Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.212 0.211 0.225
Expression system: Escherichia coli BL21(DE3)