› 5ows

X-ray diffraction
1.8Å resolution

Crystal structure of TNKS2 in complex with 2-[4-(4-methyl-2-oxoimidazolidin-4-yl)phenyl]-3,4-dihydroquinazolin-4-one

Released:
DOI: 10.2210/pdb5ows/pdb
PDB entry 5ows coloured by chain, front view.
PDB entry 5ows coloured by chain, side view.
PDB entry 5ows coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Nkizinkiko Y, Desantis J, Koivunen J, Haikarainen T, Murthy S, Sancineto L, Massari S, Ianni F, Obaji E, Loza MI, Pihlajaniemi T, Brea J, Tabarrini O, Lehtiö L
Sci Rep 8 1680 (2018)
PMID: 29374194

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190552 (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 SO4 4 x SO4
Ligand ZN 2 x ZN
Ligand KC8 2 x KC8
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: C2221
Unit cell:
a: 91.56Å b: 98.39Å c: 118.44Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.167 0.194
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Privileged Scaffolds for Potent and Specific Inhibitors of Mono-ADP-Ribosylating PARPs.
Nizi et al. (2023)
5 other articles

1 mention without citation

[1,2,4]Triazolo[3,4-b]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
Murthy et al. (2023)