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

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 (13)C chemical shifts and demonstrate that side-chain conformations in...

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Autores principales: Siemons, Lucas, Uluca-Yazgi, Boran, Pritchard, Ruth B., McCarthy, Stephen, Heise, Henrike, Hansen, D. Flemming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7138115/
https://www.ncbi.nlm.nih.gov/pubmed/31642826
http://dx.doi.org/10.1039/c9cc06496f
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author Siemons, Lucas
Uluca-Yazgi, Boran
Pritchard, Ruth B.
McCarthy, Stephen
Heise, Henrike
Hansen, D. Flemming
author_facet Siemons, Lucas
Uluca-Yazgi, Boran
Pritchard, Ruth B.
McCarthy, Stephen
Heise, Henrike
Hansen, D. Flemming
author_sort Siemons, Lucas
collection PubMed
description 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 (13)C chemical shifts and demonstrate that side-chain conformations in a low-populated folding intermediate can be determined.
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spelling pubmed-71381152020-04-10 Determining isoleucine side-chain rotamer-sampling in proteins from (13)C chemical shift Siemons, Lucas Uluca-Yazgi, Boran Pritchard, Ruth B. McCarthy, Stephen Heise, Henrike Hansen, D. Flemming Chem Commun (Camb) Chemistry 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 (13)C chemical shifts and demonstrate that side-chain conformations in a low-populated folding intermediate can be determined. Royal Society of Chemistry 2019-12-07 2019-10-15 /pmc/articles/PMC7138115/ /pubmed/31642826 http://dx.doi.org/10.1039/c9cc06496f Text en This journal is © The Royal Society of Chemistry 2019 http://creativecommons.org/licenses/by/3.0/ This article is freely available. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (CC BY 3.0)
spellingShingle Chemistry
Siemons, Lucas
Uluca-Yazgi, Boran
Pritchard, Ruth B.
McCarthy, Stephen
Heise, Henrike
Hansen, D. Flemming
Determining isoleucine side-chain rotamer-sampling in proteins from (13)C chemical shift
title Determining isoleucine side-chain rotamer-sampling in proteins from (13)C chemical shift
title_full Determining isoleucine side-chain rotamer-sampling in proteins from (13)C chemical shift
title_fullStr Determining isoleucine side-chain rotamer-sampling in proteins from (13)C chemical shift
title_full_unstemmed Determining isoleucine side-chain rotamer-sampling in proteins from (13)C chemical shift
title_short Determining isoleucine side-chain rotamer-sampling in proteins from (13)C chemical shift
title_sort determining isoleucine side-chain rotamer-sampling in proteins from (13)c chemical shift
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7138115/
https://www.ncbi.nlm.nih.gov/pubmed/31642826
http://dx.doi.org/10.1039/c9cc06496f
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