› 7s81

X-ray diffraction
3.6Å resolution

Structure of human PARP1 domains (Zn1, Zn3, WGR, HD) bound to a DNA double strand break.

Released:
DOI: 10.2210/pdb7s81/pdb
PDB entry 7s81 coloured by chain, front view.
PDB entry 7s81 coloured by chain, side view.
PDB entry 7s81 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Rouleau-Turcotte É, Krastev DB, Pettitt SJ, Lord CJ, Pascal JM
Mol Cell (2022)
PMID: 35793673

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:
hetero octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-121950 (preferred)
Entry contents:
3 distinct polypeptide molecules
1 distinct DNA molecule
Macromolecules (4 distinct):
Poly [ADP-ribose] polymerase 1, processed C-terminus Chains: C, H, K, P
Molecule details ›
Chains: C, H, K, P
Length: 266 amino acids
Theoretical weight: 29.81 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09874 (Residues: 527-786; Coverage: 24%)
Gene names: ADPRT, PARP1, PPOL
Sequence domains:
Poly [ADP-ribose] polymerase 1, processed N-terminus Chains: A, F, I, N
Molecule details ›
Chains: A, F, I, N
Length: 116 amino acids
Theoretical weight: 13.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09874 (Residues: 1-96; Coverage: 10%)
Gene names: ADPRT, PARP1, PPOL
Sequence domains: Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region
Poly [ADP-ribose] polymerase 1, processed C-terminus Chains: B, G, J, O
Molecule details ›
Chains: B, G, J, O
Length: 160 amino acids
Theoretical weight: 18.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09874 (Residues: 216-366; Coverage: 15%)
Gene names: ADPRT, PARP1, PPOL
Sequence domains:
DNA (5'-D(*AP*TP*GP*CP*GP*GP*CP*CP*GP*CP*AP*T)-3') Chains: D, E, L, M
Molecule details ›
Chains: D, E, L, M
Length: 12 nucleotides
Theoretical weight: 3.66 KDa

Ligands and Environments

1 bound ligand:
Ligand ZN 8 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 104.759Å b: 128.552Å c: 227.379Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.255 0.252 0.312
Expression system: Escherichia coli

Quick links

Citations

3 review citations

ADP-ribose contributions to genome stability and PARP enzyme trapping on sites of DNA damage; paradigm shifts for a coming-of-age modification.
Rouleau-Turcotte et al. (2023)
2 more

1 mention without citation

Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Rouleau-Turcotte et al. (2022)