› 4u6a

X-ray diffraction
2.37Å resolution

X-ray crystal structure of human TNKS in complex with a small molecule inhibitor

Released:
DOI: 10.2210/pdb4u6a/pdb
PDB entry 4u6a coloured by chain, front view.
PDB entry 4u6a coloured by chain, side view.
PDB entry 4u6a coloured by chain, top view.
Source organism: Homo sapiens
Entry author: Oliver AW

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-131875 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Poly [ADP-ribose] polymerase tankyrase-1 Chain: A
Molecule details ›
Chain: A
Length: 258 amino acids
Theoretical weight: 29.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O95271 (Residues: 1091-1325; Coverage: 18%)
Gene names: PARP5A, PARPL, TIN1, TINF1, TNKS, TNKS1
Sequence domains: Poly(ADP-ribose) polymerase catalytic domain
Structure domains: Phosphoenolpyruvate Carboxykinase; domain 3

Ligands and Environments

4 bound ligands:
Ligand ZN 1 x ZN
Ligand 3DN 1 x 3DN
Ligand GOL 5 x GOL
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: I212121
Unit cell:
a: 81.38Å b: 80.98Å c: 84.02Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.191 0.248
Expression system: Escherichia coli BL21(DE3)

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