› 6fym

X-ray diffraction
2.15Å resolution

Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK1

Released:
DOI: 10.2210/pdb6fym/pdb
PDB entry 6fym coloured by chain, front view.
PDB entry 6fym coloured by chain, side view.
PDB entry 6fym coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity.
Kirby IT, Kojic A, Arnold MR, Thorsell AG, Karlberg T, Vermehren-Schmaedick A, Sreenivasan R, Schultz C, Schüler H, Cohen MS
Cell Chem Biol 25 1547-1553.e12 (2018)
PMID: 30344052

Function and Biology Details

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-175097 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein mono-ADP-ribosyltransferase PARP14 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 193 amino acids
Theoretical weight: 22.12 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q460N5 (Residues: 1611-1801; Coverage: 11%)
Gene names: BAL2, KIAA1268, PARP14
Sequence domains: Poly(ADP-ribose) polymerase catalytic domain
Structure domains: Phosphoenolpyruvate Carboxykinase; domain 3

Ligands and Environments

2 bound ligands:
Ligand EBB 4 x EBB
Ligand NO3 2 x NO3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P1
Unit cell:
a: 40.37Å b: 84.04Å c: 84.44Å
α: 119.77° β: 100.01° γ: 91.44°
R-values:
R R work R free
0.192 0.191 0.224
Expression system: Escherichia coli

Quick links

Citations

13 review citations

Interplay between compartmentalized NAD+ synthesis and consumption: a focus on the PARP family.
Cohen MS. (2020)
12 more