› 4f1q

X-ray diffraction
2.8Å resolution

Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E)

Released:
DOI: 10.2210/pdb4f1q/pdb
PDB entry 4f1q coloured by chain, front view.
PDB entry 4f1q coloured by chain, side view.
PDB entry 4f1q coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of ligands for ADP-ribosyltransferases via docking-based virtual screening.
Andersson CD, Karlberg T, Ekblad T, Lindgren AE, Thorsell AG, Spjut S, Uciechowska U, Niemiec MS, Wittung-Stafshede P, Weigelt J, Elofsson M, Schüler H, Linusson A
J Med Chem 55 7706-18 (2012)
PMID: 22823910

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
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: 193 amino acids
Theoretical weight: 22.12 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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 0RZ 2 x 0RZ
Ligand NO3 1 x NO3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: C2221
Unit cell:
a: 82.676Å b: 144.986Å c: 83.333Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.217 0.283
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

PARP-1 mechanism for coupling DNA damage detection to poly(ADP-ribose) synthesis.
Langelier et al. (2013)
5 more

3 mentions without citation

Novel drug targets for personalized precision medicine in relapsed/refractory diffuse large B-cell lymphoma: a comprehensive review.
Camicia et al. (2015)
2 more