Dependence of 13C NMR chemical shifts on conformations of RNA nucleosides and nucleotides

Mohsen Ebrahimi, Paolo Rossi, Christopher Rogers, Gerard S. Harbison

Research output: Contribution to journalArticle

58 Citations (Scopus)

Abstract

Cross-polarization magic-angle spinning solid-state NMR spectroscopy has been used to investigate the dependence of 13C sugar chemical shifts on specific conformational parameters of a variety of ribonucleotides and ribonucleosides. Solid-state NMR is a valuable tool for nucleoside and nucleotide structural studies since it provides the means to acquire spectra that correspond to single conformations, as opposed to 13C solution NMR methods. The distinct effects of sugar puckering on the C1′, C4′, and C5′ resonances of C2′ endo (S type) and C3′ endo (N type) furanoid conformations allow us to separate them into two groups. Further analysis of each group reveals an additional dependence of the C1′ and C5′ resonances on the glycosidic and C4′-C5′ exocyclic torsion angles, respectively. However, it is found that the glycosidic conformation cannot independently be determined from sugar 13C chemical shift data. The statistical methods of exploratory data analysis and discriminant analysis are used to construct two canonical coordinates - linear combinations of chemical shifts which give the statistically optimal determination of the conformation from the NMR data.

Original languageEnglish (US)
Article number92314
Pages (from-to)1-9
Number of pages9
JournalJournal of Magnetic Resonance
Volume150
Issue number1
DOIs
StatePublished - Jan 1 2001

Fingerprint

Nucleic Acid Conformation
nucleosides
nucleotides
Chemical shift
Nucleosides
chemical equilibrium
Conformations
Nucleotides
sugars
Nuclear magnetic resonance
Sugars
RNA
Ribonucleosides
Ribonucleotides
nuclear magnetic resonance
Discriminant Analysis
Magnetic Resonance Spectroscopy
solid state
Magic angle spinning
cross polarization

Keywords

  • Canonical correlation
  • Exocyclic angle
  • Glycosidic angle
  • RNA
  • Sugar pucker

ASJC Scopus subject areas

  • Biophysics
  • Biochemistry
  • Nuclear and High Energy Physics
  • Condensed Matter Physics

Cite this

Dependence of 13C NMR chemical shifts on conformations of RNA nucleosides and nucleotides. / Ebrahimi, Mohsen; Rossi, Paolo; Rogers, Christopher; Harbison, Gerard S.

In: Journal of Magnetic Resonance, Vol. 150, No. 1, 92314, 01.01.2001, p. 1-9.

Research output: Contribution to journalArticle

Ebrahimi, Mohsen ; Rossi, Paolo ; Rogers, Christopher ; Harbison, Gerard S. / Dependence of 13C NMR chemical shifts on conformations of RNA nucleosides and nucleotides. In: Journal of Magnetic Resonance. 2001 ; Vol. 150, No. 1. pp. 1-9.
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