PMID: 8953215Oct 1, 1996Paper

Prospects for resonance assignments in multidimensional solid-state NMR spectra of uniformly labeled proteins

Journal of Biomolecular NMR
Robert Tycko

Abstract

The feasibility of assigning the backbone 15N and 13C NMR chemical shifts in multidimensional magic angle spinning NMR spectra of uniformly isotopically labeled proteins and peptides in unoriented solid samples is assessed by means of numerical simulations. The goal of these simulations is to examine how the upper limit on the size of a peptide for which unique assignments can be made depends on the spectral resolution, i.e., the NMR line widths. Sets of simulated three-dimensional chemical shift correlation spectra for artificial peptides of varying length are constructed from published liquid-state NMR chemical shift data for ubiquitin, a well-characterized soluble protein. Resonance assignments consistent with these spectra to within the assumed spectral resolution are found by a numerical search algorithm. The dependence of the number of consistent assignments on the assumed spectral resolution and on the length of the peptide is reported. If only three-dimensional chemical shift correlation data for backbone 15N and 13C nuclei are used, no residue-specific chemical shift information, information from amino acid side-chain signals, and proton chemical shift information are available, a spectral resolution of 1 ppm or less i...Continue Reading

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Citations

Aug 10, 2007·Journal of Biomolecular NMR·W Trent FranksChad M Rienstra
Nov 27, 2008·Journal of Biomolecular NMR·Yang ShenAd Bax
Nov 6, 2010·Journal of Biomolecular NMR·W Trent FranksChad M Rienstra
Nov 5, 1997·Current Opinion in Structural Biology·L E Kay, K H Gardner
Nov 18, 1998·Current Opinion in Structural Biology·F M Marassi, S J Opella
Sep 28, 2000·Current Opinion in Chemical Biology·R Tycko
Aug 12, 2004·Chemical Reviews·Stanley J Opella, Francesca M Marassi
Apr 22, 2010·Journal of the American Chemical Society·Ludmila A PopovaIgor K Lednev
Feb 16, 2006·Magnetic Resonance in Chemistry : MRC·Yegor Smurnyy, Stanley J Opella
May 2, 1998·Journal of Magnetic Resonance·C Glaubitz, A Watts
May 2, 1998·Journal of Magnetic Resonance·S Caldarelli, L Emsley
Oct 21, 1999·Journal of Magnetic Resonance·D M Taylor, A Ramamoorthy

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