› 4pax

X-ray diffraction
2.8Å resolution

THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE

Released:
DOI: 10.2210/pdb4pax/pdb
PDB entry 4pax coloured by chain, front view.
PDB entry 4pax coloured by chain, side view.
PDB entry 4pax coloured by chain, top view.
Source organism: Gallus gallus
Primary publication:
Inhibitor and NAD+ binding to poly(ADP-ribose) polymerase as derived from crystal structures and homology modeling.
Ruf A, de Murcia G, Schulz GE
Biochemistry 37 3893-900 (1998)
PMID: 9521710

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 domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150748 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Poly [ADP-ribose] polymerase 1 Chain: A
Molecule details ›
Chain: A
Length: 361 amino acids
Theoretical weight: 40.42 KDa
Source organism: Gallus gallus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P26446 (Residues: 651-1011; Coverage: 36%)
Gene names: ADPRT, PARP1
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand NU1 1 x NU1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X31
Spacegroup: P212121
Unit cell:
a: 59.16Å b: 64.55Å c: 96.31Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.167 not available
Expression system: Spodoptera frugiperda

Quick links

Citations

27 review citations

Poly(ADP-ribosyl)ation reactions in the regulation of nuclear functions.
D'Amours et al. (1999)
26 more

4 mentions without citation

Development of Anti-Virulence Therapeutics against Mono-ADP-Ribosyltransferase Toxins.
Lugo et al. (2020)
3 more