› 4j21

X-ray diffraction
1.93Å resolution

Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one

Released:
DOI: 10.2210/pdb4j21/pdb
PDB entry 4j21 coloured by chain, front view.
PDB entry 4j21 coloured by chain, side view.
PDB entry 4j21 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment-based ligand design of novel potent inhibitors of tankyrases.
Larsson EA, Jansson A, Ng FM, Then SW, Panicker R, Liu B, Sangthongpitag K, Pendharkar V, Tai SJ, Hill J, Dan C, Ho SY, Cheong WW, Poulsen A, Blanchard S, Lin GR, Alam J, Keller TH, Nordlund P
J Med Chem 56 4497-508 (2013)
PMID: 23672613

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-190549 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Poly [ADP-ribose] polymerase tankyrase-2 Chain: A
Molecule details ›
Chain: A
Length: 210 amino acids
Theoretical weight: 23.99 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9H2K2 (Residues: 952-1161; Coverage: 18%)
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 1 x ZN
Ligand SO4 2 x SO4
Ligand AJ6 1 x AJ6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P41212
Unit cell:
a: 67.695Å b: 67.695Å c: 116.515Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.201 0.252
Expression system: Escherichia coli

Quick links

Citations

10 review citations

The Cellular Thermal Shift Assay: A Novel Biophysical Assay for In Situ Drug Target Engagement and Mechanistic Biomarker Studies.
Martinez Molina et al. (2016)
9 more

10 mentions without citation

Antiviral Functions of Monoclonal Antibodies against Chikungunya Virus.
Jin et al. (2019)
9 more