Molecular Basis of SARS-CoV-2 Nsp1-Induced Immune Translational Shutdown as Revealed by All-Atom Simulations

J Phys Chem Lett. 2021 Dec 9;12(48):11745-11750. doi: 10.1021/acs.jpclett.1c03441. Epub 2021 Dec 1.

Abstract

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic represents the most severe global health crisis in modern human history. One of the major SARS-CoV-2 virulence factors is nonstructural protein 1 (Nsp1), which, outcompeting with the binding of host mRNA to the human ribosome, triggers a translation shutdown of the host immune system. Here, microsecond-long all-atom simulations of the C-terminal portion of the SARS-CoV-2/SARS-CoV Nsp1 in complex with the 40S ribosome disclose that SARS-CoV-2 Nsp1 has evolved from its SARS-CoV ortholog to more effectively hijack the ribosome by undergoing a critical switch of Q/E158 and E/Q159 residues that perfects Nsp1's interactions with the ribosome. Our outcomes offer a basis for understanding the sophisticated mechanisms underlying SARS-CoV-2 diversion and exploitation of human cell components to its deadly purposes.

MeSH terms

  • COVID-19 / immunology
  • COVID-19 / pathology
  • COVID-19 / virology
  • Humans
  • Hydrogen Bonding
  • Molecular Dynamics Simulation*
  • Protein Binding
  • Ribosome Subunits, Small, Eukaryotic / chemistry
  • Ribosome Subunits, Small, Eukaryotic / metabolism*
  • SARS-CoV-2 / isolation & purification
  • SARS-CoV-2 / metabolism*
  • Viral Nonstructural Proteins / chemistry
  • Viral Nonstructural Proteins / metabolism*

Substances

  • NSP1 protein, SARS-CoV-2
  • Viral Nonstructural Proteins