› 6ghk

X-ray diffraction
2.28Å resolution

Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527

Released:
DOI: 10.2210/pdb6ghk/pdb
PDB entry 6ghk coloured by chain, front view.
PDB entry 6ghk coloured by chain, side view.
PDB entry 6ghk coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Karlberg T, Thorsell AG, Lindgren AEG, Moche M, Brock J, Ekblad T, Spjut S, Elofsson M, Schuler H

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
Molecule details ›
Chains: A, B
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: Phosphoenolpyruvate Carboxykinase; domain 3

Ligands and Environments

2 bound ligands:
Ligand EZ2 2 x EZ2
Ligand SO4 6 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P21
Unit cell:
a: 74.55Å b: 68.564Å c: 91.813Å
α: 90° β: 110.95° γ: 90°
R-values:
R R work R free
0.189 0.187 0.226
Expression system: Escherichia coli

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