› 3blu

X-ray diffraction
2Å resolution

crystal structure YopH complexed with inhibitor PVS

Released:
DOI: 10.2210/pdb3blu/pdb
PDB entry 3blu coloured by chain, front view.
PDB entry 3blu coloured by chain, side view.
PDB entry 3blu coloured by chain, top view.
Source organism: Yersinia enterocolitica
Primary publication:
Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases.
Liu S, Zhou B, Yang H, He Y, Jiang ZX, Kumar S, Wu L, Zhang ZY
J Am Chem Soc 130 8251-60 (2008)
PMID: 18528979

Function and Biology Details

Reaction catalysed: 
Protein tyrosine phosphate + H(2)O = protein tyrosine + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147287 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein phosphatase YopH Chain: A
Molecule details ›
Chain: A
Length: 305 amino acids
Theoretical weight: 33.42 KDa
Source organism: Yersinia enterocolitica
Expression system: Escherichia coli
UniProt:
  • Canonical: P15273 (Residues: 164-468; Coverage: 65%)
Gene names: yop51, yopH
Sequence domains: Protein-tyrosine phosphatase
Structure domains: Protein tyrosine phosphatase superfamily

Ligands and Environments

1 bound ligand:
Ligand PVS 1 x PVS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F2
Spacegroup: P212121
Unit cell:
a: 48.849Å b: 54.092Å c: 96.926Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.205 0.253
Expression system: Escherichia coli

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Citations

13 review citations

Visible-Light Photocatalysis: Does It Make a Difference in Organic Synthesis?
Marzo et al. (2018)
12 more

1 mention without citation

Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases.
Liu et al. (2008)