› 4gv7

X-ray diffraction
2.89Å resolution

Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor ME0328

Released:
DOI: 10.2210/pdb4gv7/pdb
PDB entry 4gv7 coloured by chain, front view.
PDB entry 4gv7 coloured by chain, side view.
PDB entry 4gv7 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

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 domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140785 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Poly [ADP-ribose] polymerase 1, processed C-terminus Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 358 amino acids
Theoretical weight: 40.2 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09874 (Residues: 662-1011; Coverage: 35%)
Gene names: ADPRT, PARP1, PPOL
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand MEW 4 x MEW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P21
Unit cell:
a: 87.05Å b: 49.43Å c: 183.51Å
α: 90° β: 101.82° γ: 90°
R-values:
R R work R free
0.215 0.211 0.286
Expression system: Escherichia coli

Quick links

Citations

11 review citations

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

3 mentions without citation

Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
Aoyagi-Scharber et al. (2014)
2 more