› 7pa3

X-ray diffraction
1.42Å resolution

PARK7 with covalent inhibitor JYQ-88

Released:
DOI: 10.2210/pdb7pa3/pdb
PDB entry 7pa3 coloured by chain, front view.
PDB entry 7pa3 coloured by chain, side view.
PDB entry 7pa3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
Jia Y, Kim RQ, Kooij R, Ovaa H, Sapmaz A, Geurink PP
J Med Chem (2022)
PMID: 36149939

Function and Biology Details

Reaction catalysed: 
An N(6)-(1-hydroxy-2-oxopropyl)-[protein]-L-lysine + H(2)O = a [protein]-L-lysine + lactate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189205 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Parkinson disease protein 7 Chain: AAA
Molecule details ›
Chain: AAA
Length: 192 amino acids
Theoretical weight: 20.13 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q99497 (Residues: 1-189; Coverage: 100%)
Gene name: PARK7
Sequence domains: DJ-1/PfpI family

Ligands and Environments

1 bound ligand:
Ligand 6SI 1 x 6SI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P6522
Unit cell:
a: 66.743Å b: 66.743Å c: 176.785Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.176 0.174 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Technologies for Direct Detection of Covalent Protein-Drug Adducts.
Mons et al. (2023)
1 other article

1 mention without citation

Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
Jia et al. (2022)