Determining isoleucine side-chain rotamer-sampling in proteins from 13C chemical shift

Lucas Siemons; Boran Uluca-Yazgi; Ruth B. Pritchard; Stephen McCarthy; Henrike Heise; D. Flemming Hansen

doi:10.1039/C9CC06496F

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Determining isoleucine side-chain rotamer-sampling in proteins from ¹³C chemical shift†

Lucas Siemons,

^a Boran Uluca-Yazgi,^bc Ruth B. Pritchard,

^a Stephen McCarthy,^d Henrike Heise^bc and D. Flemming Hansen

*^a

Author affiliations

* Corresponding authors

^a Institute of Structural and Molecular Biology, Division of Biosciences, University College London, London, UK
E-mail: d.hansen@ucl.ac.uk

^b Institut für Physikalische Biologie, Heinrich-Heine-Universität Düsseldorf, Düsseldorf, Germany

^c Institute of Complex Systems, ICS-6: Structural Biochemistry and JuStruct: Jülich Center for Structural Biology, Forschungszentrum Jülich, Jülich, Germany

^d Department of Chemistry, University College London, 20, Gordon Street, London, UK

Abstract

Chemical shifts are often the only nuclear magnetic resonance parameter that can be obtained for challenging macromolecular systems. Here we present a framework to derive the conformational sampling of isoleucine side chains from ¹³C chemical shifts and demonstrate that side-chain conformations in a low-populated folding intermediate can be determined.

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Article information

DOI: https://doi.org/10.1039/C9CC06496F
Article type: Communication
Submitted: 21 Aug 2019
Accepted: 14 Oct 2019
First published: 15 Oct 2019
This article is Open Access

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Chem. Commun., 2019,55, 14107-14110

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Determining isoleucine side-chain rotamer-sampling in proteins from ¹³C chemical shift

L. Siemons, B. Uluca-Yazgi, R. B. Pritchard, S. McCarthy, H. Heise and D. F. Hansen, Chem. Commun., 2019, 55, 14107 DOI: 10.1039/C9CC06496F

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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Chemical Communications