2p4d

X-ray diffraction
1.8Å resolution

Structure-assisted discovery of Variola major H1 phosphatase inhibitors

Released:
Source organism: Variola virus
Entry authors: Phan J, Tropea JE, Waugh DS

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity protein phosphatase Chain: A
Molecule details ›
Chain: A
Length: 172 amino acids
Theoretical weight: 20.24 KDa
Source organism: Variola virus
Expression system: Escherichia coli BL21(DE3)
Structure domains: Protein tyrosine phosphatase superfamily

Ligands and Environments

No bound ligands
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: I4122
Unit cell:
a: 101.441Å b: 101.441Å c: 95.101Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.178 0.195
Expression system: Escherichia coli BL21(DE3)