Articles | Volume 2, issue 1
Research article
13 Apr 2021
Research article |  | 13 Apr 2021

Four-dimensional NOE-NOE spectroscopy of SARS-CoV-2 Main Protease to facilitate resonance assignment and structural analysis

Angus J. Robertson, Jinfa Ying, and Ad Bax

Related authors

NUScon: a community-driven platform for quantitative evaluation of nonuniform sampling in NMR
Yulia Pustovalova, Frank Delaglio, D. Levi Craft, Haribabu Arthanari, Ad Bax, Martin Billeter, Mark J. Bostock, Hesam Dashti, D. Flemming Hansen, Sven G. Hyberts, Bruce A. Johnson, Krzysztof Kazimierczuk, Hengfa Lu, Mark Maciejewski, Tomas M. Miljenović, Mehdi Mobli, Daniel Nietlispach, Vladislav Orekhov, Robert Powers, Xiaobo Qu, Scott Anthony Robson, David Rovnyak, Gerhard Wagner, Jinfa Ying, Matthew Zambrello, Jeffrey C. Hoch, David L. Donoho, and Adam D. Schuyler
Magn. Reson., 2, 843–861,,, 2021
Short summary

Related subject area

Field: Liquid-state NMR | Topic: Pulse-sequence development
SORDOR pulses: expansion of the Böhlen–Bodenhausen scheme for low-power broadband magnetic resonance
Jens D. Haller, David L. Goodwin, and Burkhard Luy
Magn. Reson., 3, 53–63,,, 2022
Short summary
Mechanisms of coherent re-arrangement for long-lived spin order
Florin Teleanu and Paul R. Vasos
Magn. Reson., 2, 741–749,,, 2021
Short summary
Rapid measurement of heteronuclear transverse relaxation rates using non-uniformly sampled R1ρ accordion experiments
Sven Wernersson, Göran Carlström, Andreas Jakobsson, and Mikael Akke
Magn. Reson., 2, 571–587,,, 2021
Short summary
Exclusively heteronuclear NMR experiments for the investigation of intrinsically disordered proteins: focusing on proline residues
Isabella C. Felli, Wolfgang Bermel, and Roberta Pierattelli
Magn. Reson., 2, 511–522,,, 2021
Short summary
Using delayed decoupling to attenuate residual signals in editing filters
Kenneth A. Marincin, Indrani Pal, and Dominique P. Frueh
Magn. Reson., 2, 475–487,,, 2021
Short summary

Cited articles

Altincekic, N.: Large-scale recombinant production of the SARS-CoV-2 proteome for high-throughput and structural biology applications, Frontiers in Molecular Biosciences, accepted, available at: recombinant-production-of-the-sars-cov-2-proteome-for-high-throughput-and-structural-biology-applications/, last access: 12 April 2021. 
Barnes, C. A., Shen, Y., Ying, J. F., Takagi, Y., Torchia, D. A., Sellers, J. R., and Bax, A.: Remarkable Rigidity of the Single alpha-Helical Domain of Myosin-VI As Revealed by NMR Spectroscopy, J. Am. Chem. Soc., 141, 9004–9017,, 2019. 
Boelens, R., Koning, T. M. G., and Kaptein, R.: Determination of Biomolecular Structures From Proton-Proton Noes Using a Relaxation Matrix Approach, J. Mol. Struct., 173, 299–311, 1988. 
Boelens, R., Vuister, G. W., Koning, T. M. G., and Kaptein, R.: Observation of spin diffusion in biomolecules by 3-dimensional NOE-NOE spectroscopy, J. Am. Chem. Soc., 111, 8525–8526,, 1989. 
Short summary
NMR study of large proteins such as SARS-CoV-2 Main Protease can be challenging when exchange broadening, multiple stable conformations, and back-exchanging the fully deuterated chain pose problems. We demonstrate that 4D NMR, including an extension of 3D NOE-NOE spectroscopy, provides an effective tool for spectral analysis. In combination with X-ray coordinates, the 4D NMR data are particularly useful for extending and validating assignments and for probing structural features.