PDBe 5wry

X-ray diffraction
2.3Å resolution

Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor

Released:
Source organism: Homo sapiens
Entry authors: Cao R, Wang YL, Zhou J, Huang N, Xu BL

Function and Biology Details

Reaction catalysed:
NAD(+) + (ADP-D-ribosyl)(n)-acceptor = nicotinamide + (ADP-D-ribosyl)(n+1)-acceptor
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Poly [ADP-ribose] polymerase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 352 amino acids
Theoretical weight: 39.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09874 (Residues: 662-1011; Coverage: 35%)
Gene names: ADPRT, PARP1, PPOL
Sequence domains:

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P212121
Unit cell:
a: 48.01Å b: 91.57Å c: 162.71Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.23 0.228 0.275
Expression system: Escherichia coli