A Theoretical Assessment of Structure Determination of Multi-span Membrane Proteins by Oriented Sample Solid-state NMR Spectroscopy

Overview

Journal Aust J Chem

Specialty Chemistry

Date 2020 Nov 9

PMID 33162560

Citations 3

Authors

Daniel K Weber

Gianluigi Veglia

Affiliations

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Abstract

Oriented sample solid state NMR (OS-ssNMR) spectroscopy allows direct determination of the structure and topology of membrane proteins reconstituted into aligned lipid bilayers. While OS-ssNMR theoretically has no upper size limit, its application to multi-span membrane proteins has not been established since most studies have been restricted to single or dual span proteins and peptides. Here, we present a critical assessment of the application of this method to multi-span membrane proteins. We used molecular dynamics simulations to back-calculate [N-H] separated local field (SLF) spectra from a G protein-coupled receptor (GPCR) and show that fully resolved spectra can be obtained theoretically for a multi-span membrane protein with currently achievable resonance linewidths.

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