› 4l2k

X-ray diffraction
2.1Å resolution

Tankyrase 2 in complex with 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one

Released:
DOI: 10.2210/pdb4l2k/pdb
PDB entry 4l2k coloured by chain, front view.
PDB entry 4l2k coloured by chain, side view.
PDB entry 4l2k coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
Narwal M, Koivunen J, Haikarainen T, Obaji E, Legala OE, Venkannagari H, Joensuu P, Pihlajaniemi T, Lehtiö L
J Med Chem 56 7880-9 (2013)
PMID: 24116873

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190550 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Poly [ADP-ribose] polymerase tankyrase-2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 191 amino acids
Theoretical weight: 21.82 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9H2K2 (Residues: 946-1113; Coverage: 14%)
Gene names: PARP5B, TANK2, TNKL, TNKS2
Sequence domains: Poly(ADP-ribose) polymerase catalytic domain
Structure domains: Phosphoenolpyruvate Carboxykinase; domain 3
Poly [ADP-ribose] polymerase tankyrase-2 Chains: C, D
Molecule details ›
Chains: C, D
Length: 49 amino acids
Theoretical weight: 5.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9H2K2 (Residues: 1114-1162; Coverage: 4%)
Gene names: PARP5B, TANK2, TNKL, TNKS2
Structure domains: YefM-like fold

Ligands and Environments

4 bound ligands:
Ligand 1V8 2 x 1V8
Ligand ZN 2 x ZN
Ligand SO4 4 x SO4
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2221
Unit cell:
a: 92.47Å b: 97.78Å c: 117.74Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.177 0.221
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

10 review citations

Wnt signaling in breast cancer: biological mechanisms, challenges and opportunities.
Xu et al. (2020)
9 more

1 mention without citation

Synthesis, spectroscopic, dielectric, molecular docking and DFT studies of (3E)-3-(4-methylbenzylidene)-3,4-dihydro-2H-chromen-2-one: an anticancer agent.
Beena et al. (2017)