Four-dimensional NOE-NOE spectroscopy of SARS-CoV-2 Main Protease to facilitate resonance assignment and structural analysis
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Published:2021-04-13
Issue:1
Volume:2
Page:129-138
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ISSN:2699-0016
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Container-title:Magnetic Resonance
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language:en
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Short-container-title:Magn. Reson.
Author:
Robertson Angus J.,Ying Jinfa,Bax Ad
Abstract
Abstract. Resonance assignment and structural studies of larger
proteins by nuclear magnetic resonance (NMR) can be challenging when exchange broadening, multiple stable conformations, and 1H back-exchange of the fully deuterated chain pose problems. These difficulties arise for the SARS-CoV-2 Main Protease, a homodimer of 2 × 306 residues. We demonstrate that the combination
of four-dimensional (4D) TROSY-NOESY-TROSY spectroscopy and 4D
NOESY-NOESY-TROSY spectroscopy provides an effective tool for delineating
the 1H–1H dipolar relaxation network. In combination with detailed structural information obtained from prior X-ray crystallography work, such
data are particularly useful for extending and validating resonance
assignments as well as for probing structural features.
Funder
National Institute of Diabetes and Digestive and Kidney Diseases
Publisher
Copernicus GmbH
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