› 4ux4

X-ray diffraction
1.8Å resolution

Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium

Released:
DOI: 10.2210/pdb4ux4/pdb
PDB entry 4ux4 coloured by chain, front view.
PDB entry 4ux4 coloured by chain, side view.
PDB entry 4ux4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.
Kumpan K, Nathubhai A, Zhang C, Wood PJ, Lloyd MD, Thompson AS, Haikarainen T, Lehtiö L, Threadgill MD
Bioorg Med Chem 23 3013-32 (2015)
PMID: 26026769

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-574337 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Poly [ADP-ribose] polymerase tankyrase-2 Chains: A, B
Molecule details ›
Chains: A, B
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

4 bound ligands:
Ligand E9L 2 x E9L
Ligand ZN 2 x ZN
Ligand SO4 4 x SO4
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2221
Unit cell:
a: 91.56Å b: 97.89Å c: 118.47Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.162 0.198
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

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