› 8hlr

X-ray diffraction
2.85Å resolution

Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to Fluzoparib (SHR3162)

Released:
DOI: 10.2210/pdb8hlr/pdb
PDB entry 8hlr coloured by chain, front view.
PDB entry 8hlr coloured by chain, side view.
PDB entry 8hlr coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Wang XY, Zhou J, Xu BL

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

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: 354 amino acids
Theoretical weight: 39.56 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

2 bound ligands:
Ligand 25I 2 x 25I
Ligand SO4 12 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL02U1
Spacegroup: P212121
Unit cell:
a: 48.814Å b: 92.746Å c: 164.026Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.24 0.237 0.288
Expression system: Escherichia coli

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