› 4uvs

X-ray diffraction
2Å resolution

Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one

Released:
DOI: 10.2210/pdb4uvs/pdb
PDB entry 4uvs coloured by chain, front view.
PDB entry 4uvs coloured by chain, side view.
PDB entry 4uvs coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Exploration of the nicotinamide-binding site of the tankyrases, identifying 3-arylisoquinolin-1-ones as potent and selective inhibitors in vitro.
Paine HA, Nathubhai A, Woon EC, Sunderland PT, Wood PJ, Mahon MF, Lloyd MD, Thompson AS, Haikarainen T, Narwal M, Lehtiö L, Threadgill MD
Bioorg Med Chem 23 5891-908 (2015)
PMID: 26189030

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 domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190549 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Poly [ADP-ribose] polymerase tankyrase-2 Chains: A, C
Molecule details ›
Chains: A, 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:
Ligand ZN 2 x ZN
Ligand SO4 4 x SO4
Ligand R4E 2 x R4E
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: C2221
Unit cell:
a: 91.45Å b: 98.68Å c: 119.21Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.182 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Regulation of Wnt/β-catenin signalling by tankyrase-dependent poly(ADP-ribosyl)ation and scaffolding.
Mariotti et al. (2017)
2 more