› 4dvi

X-ray diffraction
1.9Å resolution

Crystal structure of Tankyrase 1 with IWR2

Released:
DOI: 10.2210/pdb4dvi/pdb
PDB entry 4dvi coloured by chain, front view.
PDB entry 4dvi coloured by chain, side view.
PDB entry 4dvi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel binding mode of a potent and selective tankyrase inhibitor.
Gunaydin H, Gu Y, Huang X
PLoS One 7 e33740 (2012)
PMID: 22438990

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
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: 217 amino acids
Theoretical weight: 25.04 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O95271 (Residues: 1104-1314; Coverage: 16%)
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

2 bound ligands:
Ligand ZN 2 x ZN
Ligand 2IW 2 x 2IW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P212121
Unit cell:
a: 41.47Å b: 77.94Å c: 146.54Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.248 0.248 0.258
Expression system: Escherichia coli

Quick links

Citations

16 review citations

Tankyrase-targeted therapeutics: expanding opportunities in the PARP family.
Riffell et al. (2012)
15 more

4 mentions without citation

Wnt/beta-catenin signaling and small molecule inhibitors.
Voronkov et al. (2013)
3 more