3uh4

X-ray diffraction
2Å resolution

TANKYRASE-1 complexed with NVP-XAV939

Released:
Source organism: Homo sapiens
Primary publication:
Structure of human tankyrase 1 in complex with small-molecule inhibitors PJ34 and XAV939.
Acta Crystallogr Sect F Struct Biol Cryst Commun 68 115-8 (2012)
PMID: 22297980

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

Assemblies composition:
monomeric (preferred)
homo dimer
PDBe Complex ID:
PDB-CPX-131875 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Poly [ADP-ribose] polymerase tankyrase-1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 224 amino acids
Theoretical weight: 25.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O95271 (Residues: 1105-1327; Coverage: 17%)
Gene names: PARP5A, PARPL, TIN1, TINF1, TNKS, TNKS1
Sequence domains: Poly(ADP-ribose) polymerase catalytic domain
Structure domains: Phosphoenolpyruvate Carboxykinase; domain 3

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 123.915Å b: 45.239Å c: 88.135Å
α: 90° β: 90.44° γ: 90°
R-values:
R R work R free
0.183 0.18 0.234
Expression system: Escherichia coli