1H,13C and 15N chemical shift assignments of the SUD domains of SARS-CoV-2 non-structural protein 3c: "The SUD-M and SUD-C domains"

Biomol NMR Assign. 2021 Apr;15(1):165-171. doi: 10.1007/s12104-020-10000-9. Epub 2021 Jan 9.

Abstract

SARS-CoV-2 RNA, nsP3c (non-structural Protein3c) spans the sequence of the so-called SARS Unique Domains (SUDs), first observed in SARS-CoV. Although the function of this viral protein is not fully elucidated, it is believed that it is crucial for the formation of the replication/transcription viral complex (RTC) and of the interaction of various viral "components" with the host cell; thus, it is essential for the entire viral life cycle. The first two SUDs, the so-called SUD-N (the N-terminal domain) and SUD-M (domain following SUD-N) domains, exhibit topological and conformational features that resemble the nsP3b macro (or "X") domain. Indeed, they are all folded in a three-layer α/β/α sandwich structure, as revealed through crystallographic structural investigation of SARS-CoV SUDs, and they have been attributed to different substrate selectivity as they selectively bind to oligonucleotides. On the other hand, the C-terminal SUD (SUD-C) exhibit much lower sequence similarities compared to the SUD-N & SUD-M, as reported in previous crystallographic and NMR studies of SARS-CoV. In the absence of the 3D structures of SARS-CoV-2, we report herein the almost complete NMR backbone and side-chain resonance assignment (1H,13C,15N) of SARS-CoV-2 SUD-M and SUD-C proteins, and the NMR chemical shift-based prediction of their secondary structure elements. These NMR data will set the base for further understanding at the atomic-level conformational dynamics of these proteins and will allow the effective screening of a large number of small molecules as binders with potential biological impact on their function.

Keywords: Covid19-NMR; Non-structural protein; Protein druggability; SARS unique domain (SUD); SARS-CoV-2; Solution NMR-spectroscopy.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbon Isotopes
  • Coronavirus Papain-Like Proteases / chemistry*
  • Hydrogen
  • Magnetic Resonance Spectroscopy*
  • Nitrogen Isotopes
  • Protein Binding
  • Protein Domains
  • Protein Structure, Secondary
  • SARS-CoV-2 / chemistry*

Substances

  • Carbon Isotopes
  • Nitrogen Isotopes
  • Nitrogen-15
  • Hydrogen
  • Coronavirus Papain-Like Proteases
  • papain-like protease, SARS-CoV-2
  • Carbon-13