› 4gv4

X-ray diffraction
1.8Å resolution

Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0328

Released:
DOI: 10.2210/pdb4gv4/pdb
PDB entry 4gv4 coloured by chain, front view.
PDB entry 4gv4 coloured by chain, side view.
PDB entry 4gv4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
PARP inhibitor with selectivity toward ADP-ribosyltransferase ARTD3/PARP3.
Lindgren AE, Karlberg T, Thorsell AG, Hesse M, Spjut S, Ekblad T, Andersson CD, Pinto AF, Weigelt J, Hottiger MO, Linusson A, Elofsson M, Schüler H
ACS Chem Biol 8 1698-703 (2013)
PMID: 23742272

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-578952 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein mono-ADP-ribosyltransferase PARP3 Chain: A
Molecule details ›
Chain: A
Length: 357 amino acids
Theoretical weight: 39.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y6F1 (Residues: 178-532; Coverage: 67%)
Gene names: ADPRT3, ADPRTL3, PARP3
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand MEJ 1 x MEJ
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21
Unit cell:
a: 54.664Å b: 56.742Å c: 56.977Å
α: 90° β: 112.74° γ: 90°
R-values:
R R work R free
0.164 0.162 0.203
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Nuclear ADP-Ribosylation and Its Role in Chromatin Plasticity, Cell Differentiation, and Epigenetics.
Hottiger MO. (2015)
9 more

2 mentions without citation

Structural Implications for Selective Targeting of PARPs.
Steffen et al. (2013)
1 more