Crystal structure of unlinked NS2B-NS3 protease from Zika virus

Science. 2016 Dec 23;354(6319):1597-1600. doi: 10.1126/science.aai9309. Epub 2016 Dec 8.

Abstract

Zika virus (ZIKV) has rapidly emerged as a global public health concern. Viral NS2B-NS3 protease processes viral polyprotein and is essential for the virus replication, making it an attractive antiviral drug target. We report crystal structures at 1.58-angstrom resolution of the unlinked NS2B-NS3 protease from ZIKV as free enzyme and bound to a peptide reversely oriented at the active site. The unlinked NS2B-NS3 protease adopts a closed conformation in which NS2B engages NS3 to form an empty substrate-binding site. A second protease in the same crystal binds to the residues K14K15G16E17 from the neighboring NS3 in reverse orientation, resisting proteolysis. These features of ZIKV NS2B-NS3 protease may accelerate the discovery of structure-based antiviral drugs against ZIKV and related pathogenic flaviviruses.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Catalytic Domain
  • Crystallography, X-Ray
  • Oligopeptides / chemistry
  • Protein Binding
  • Protein Conformation
  • Proteolysis
  • RNA Helicases / chemistry
  • Serine Endopeptidases / chemistry
  • Substrate Specificity
  • Viral Nonstructural Proteins / chemistry*
  • Zika Virus / enzymology*

Substances

  • NS2B protein, flavivirus
  • NS3 protein, flavivirus
  • Oligopeptides
  • Viral Nonstructural Proteins
  • Serine Endopeptidases
  • RNA Helicases