Design of buried charged networks in artificial proteins

Buried charged networks in proteins are often important for their biological functionality and are believed to destabilise the protein fold. Here, the authors combine computational design, MD simulations, biophysical experiments, NMR and X-ray crystallography to design and characterise artificial 4α...

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Autores principales: Mona Baumgart, Michael Röpke, Max E. Mühlbauer, Sam Asami, Sophie L. Mader, Kai Fredriksson, Michael Groll, Ana P. Gamiz-Hernandez, Ville R. I. Kaila
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Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/0e77cdff4a874a32b8c39f0694e34a3c
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spelling oai:doaj.org-article:0e77cdff4a874a32b8c39f0694e34a3c2021-12-02T14:02:51ZDesign of buried charged networks in artificial proteins10.1038/s41467-021-21909-72041-1723https://doaj.org/article/0e77cdff4a874a32b8c39f0694e34a3c2021-03-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-21909-7https://doaj.org/toc/2041-1723Buried charged networks in proteins are often important for their biological functionality and are believed to destabilise the protein fold. Here, the authors combine computational design, MD simulations, biophysical experiments, NMR and X-ray crystallography to design and characterise artificial 4α-helical proteins with buried charged elements. They analyse their conformational landscapes and observe that the ion-pairs are stabilised by amphiphilic residues that electrostatically shield the charged motif, which increases structural stability.Mona BaumgartMichael RöpkeMax E. MühlbauerSam AsamiSophie L. MaderKai FredrikssonMichael GrollAna P. Gamiz-HernandezVille R. I. KailaNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
institution DOAJ
collection DOAJ
language EN
topic Science
Q
spellingShingle Science
Q
Mona Baumgart
Michael Röpke
Max E. Mühlbauer
Sam Asami
Sophie L. Mader
Kai Fredriksson
Michael Groll
Ana P. Gamiz-Hernandez
Ville R. I. Kaila
Design of buried charged networks in artificial proteins
description Buried charged networks in proteins are often important for their biological functionality and are believed to destabilise the protein fold. Here, the authors combine computational design, MD simulations, biophysical experiments, NMR and X-ray crystallography to design and characterise artificial 4α-helical proteins with buried charged elements. They analyse their conformational landscapes and observe that the ion-pairs are stabilised by amphiphilic residues that electrostatically shield the charged motif, which increases structural stability.
format article
author Mona Baumgart
Michael Röpke
Max E. Mühlbauer
Sam Asami
Sophie L. Mader
Kai Fredriksson
Michael Groll
Ana P. Gamiz-Hernandez
Ville R. I. Kaila
author_facet Mona Baumgart
Michael Röpke
Max E. Mühlbauer
Sam Asami
Sophie L. Mader
Kai Fredriksson
Michael Groll
Ana P. Gamiz-Hernandez
Ville R. I. Kaila
author_sort Mona Baumgart
title Design of buried charged networks in artificial proteins
title_short Design of buried charged networks in artificial proteins
title_full Design of buried charged networks in artificial proteins
title_fullStr Design of buried charged networks in artificial proteins
title_full_unstemmed Design of buried charged networks in artificial proteins
title_sort design of buried charged networks in artificial proteins
publisher Nature Portfolio
publishDate 2021
url https://doaj.org/article/0e77cdff4a874a32b8c39f0694e34a3c
work_keys_str_mv AT monabaumgart designofburiedchargednetworksinartificialproteins
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AT michaelgroll designofburiedchargednetworksinartificialproteins
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