› 5v7w

X-ray diffraction
2.65Å resolution

Crystal structure of human PARP14 bound to 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one inhibitor

Released:
DOI: 10.2210/pdb5v7w/pdb
PDB entry 5v7w coloured by chain, front view.
PDB entry 5v7w coloured by chain, side view.
PDB entry 5v7w coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation.
Yoneyama-Hirozane M, Matsumoto SI, Toyoda Y, Saikatendu KS, Zama Y, Yonemori K, Oonishi M, Ishii T, Kawamoto T
Biochem Biophys Res Commun 486 626-631 (2017)
PMID: 28315326

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
Molecule details ›
Chains: A, B
Length: 194 amino acids
Theoretical weight: 22.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q460N5 (Residues: 1610-1801; Coverage: 11%)
Gene names: BAL2, KIAA1268, PARP14
Sequence domains: Poly(ADP-ribose) polymerase catalytic domain
Structure domains: Phosphoenolpyruvate Carboxykinase; domain 3

Ligands and Environments

1 bound ligand:
Ligand 91J 2 x 91J
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL14-1
Spacegroup: C2221
Unit cell:
a: 83.049Å b: 144.907Å c: 83.428Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.204 0.266
Expression system: Escherichia coli

Quick links

Citations

1 review citation

MARTs and MARylation in the Cytosol: Biological Functions, Mechanisms of Action, and Therapeutic Potential.
Challa et al. (2021)
6 other articles

2 mentions without citation

Medicinal Chemistry Perspective on Targeting Mono-ADP-Ribosylating PARPs with Small Molecules.
Nizi et al. (2022)
1 more