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Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors
We present an approach that, by integrating structural data with Direct Coupling Analysis, is able to pinpoint most of the interaction hotspots (i.e. key residues for the biological activity) across very sparse protein families in a single run. An application to the Class A G-protein coupled recepto...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Research Network of Computational and Structural Biotechnology
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7260681/ https://www.ncbi.nlm.nih.gov/pubmed/32489528 http://dx.doi.org/10.1016/j.csbj.2020.05.003 |
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author | Baldessari, Filippo Capelli, Riccardo Carloni, Paolo Giorgetti, Alejandro |
author_facet | Baldessari, Filippo Capelli, Riccardo Carloni, Paolo Giorgetti, Alejandro |
author_sort | Baldessari, Filippo |
collection | PubMed |
description | We present an approach that, by integrating structural data with Direct Coupling Analysis, is able to pinpoint most of the interaction hotspots (i.e. key residues for the biological activity) across very sparse protein families in a single run. An application to the Class A G-protein coupled receptors (GPCRs), both in their active and inactive states, demonstrates the predictive power of our approach. The latter can be easily extended to any other kind of protein family, where it is expected to highlight most key sites involved in their functional activity. |
format | Online Article Text |
id | pubmed-7260681 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Research Network of Computational and Structural Biotechnology |
record_format | MEDLINE/PubMed |
spelling | pubmed-72606812020-06-01 Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors Baldessari, Filippo Capelli, Riccardo Carloni, Paolo Giorgetti, Alejandro Comput Struct Biotechnol J Research Article We present an approach that, by integrating structural data with Direct Coupling Analysis, is able to pinpoint most of the interaction hotspots (i.e. key residues for the biological activity) across very sparse protein families in a single run. An application to the Class A G-protein coupled receptors (GPCRs), both in their active and inactive states, demonstrates the predictive power of our approach. The latter can be easily extended to any other kind of protein family, where it is expected to highlight most key sites involved in their functional activity. Research Network of Computational and Structural Biotechnology 2020-05-15 /pmc/articles/PMC7260681/ /pubmed/32489528 http://dx.doi.org/10.1016/j.csbj.2020.05.003 Text en © 2020 The Author(s) http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). |
spellingShingle | Research Article Baldessari, Filippo Capelli, Riccardo Carloni, Paolo Giorgetti, Alejandro Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors |
title | Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors |
title_full | Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors |
title_fullStr | Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors |
title_full_unstemmed | Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors |
title_short | Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors |
title_sort | coevolutionary data-based interaction networks approach highlighting key residues across protein families: the case of the g-protein coupled receptors |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7260681/ https://www.ncbi.nlm.nih.gov/pubmed/32489528 http://dx.doi.org/10.1016/j.csbj.2020.05.003 |
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