› 6vkq

X-ray diffraction
2.9Å resolution

Crystal Structure of human PARP-1 CAT domain bound to inhibitor EB-47

Released:
DOI: 10.2210/pdb6vkq/pdb
PDB entry 6vkq coloured by chain, front view.
PDB entry 6vkq coloured by chain, side view.
PDB entry 6vkq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis for allosteric PARP-1 retention on DNA breaks.
Zandarashvili L, Langelier MF, Velagapudi UK, Hancock MA, Steffen JD, Billur R, Hannan ZM, Wicks AJ, Krastev DB, Pettitt SJ, Lord CJ, Talele TT, Pascal JM, Black BE
Science 368 (2020)
PMID: 32241924

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: 372 amino acids
Theoretical weight: 41.57 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09874 (Residues: 661-1011; Coverage: 35%)
Gene names: ADPRT, PARP1, PPOL
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand UHB 4 x UHB
Ligand SO4 12 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 12.3.1
Spacegroup: C2
Unit cell:
a: 140.219Å b: 130.31Å c: 101.87Å
α: 90° β: 111.25° γ: 90°
R-values:
R R work R free
0.325 0.323 0.353
Expression system: Escherichia coli

Quick links

Citations

54 review citations

Poly(ADP-ribose) polymerase inhibition: past, present and future.
Curtin et al. (2020)
53 more

3 mentions without citation

Structural basis for allosteric PARP-1 retention on DNA breaks.
Zandarashvili et al. (2020)
2 more