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SWORD2: hierarchical analysis of protein 3D structures

Understanding the functions and origins of proteins requires splitting these macromolecules into fragments that could be independent in terms of folding, activity, or evolution. For that purpose, structural domains are the typical level of analysis, but shorter segments, such as subdomains and super...

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Autores principales: Cretin, Gabriel, Galochkina, Tatiana, Vander Meersche, Yann, de Brevern, Alexandre G, Postic, Guillaume, Gelly, Jean-Christophe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9252838/
https://www.ncbi.nlm.nih.gov/pubmed/35580056
http://dx.doi.org/10.1093/nar/gkac370
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author Cretin, Gabriel
Galochkina, Tatiana
Vander Meersche, Yann
de Brevern, Alexandre G
Postic, Guillaume
Gelly, Jean-Christophe
author_facet Cretin, Gabriel
Galochkina, Tatiana
Vander Meersche, Yann
de Brevern, Alexandre G
Postic, Guillaume
Gelly, Jean-Christophe
author_sort Cretin, Gabriel
collection PubMed
description Understanding the functions and origins of proteins requires splitting these macromolecules into fragments that could be independent in terms of folding, activity, or evolution. For that purpose, structural domains are the typical level of analysis, but shorter segments, such as subdomains and supersecondary structures, are insightful as well. Here, we propose SWORD2, a web server for exploring how an input protein structure may be decomposed into ‘Protein Units’ that can be hierarchically assembled to delimit structural domains. For each partitioning solution, the relevance of the identified substructures is estimated through different measures. This multilevel analysis is achieved by integrating our previous work on domain delineation, ‘protein peeling’ and model quality assessment. We hope that SWORD2 will be useful to biologists searching for key regions in their proteins of interest and to bioinformaticians building datasets of protein structures. The web server is freely available online: https://www.dsimb.inserm.fr/SWORD2.
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spelling pubmed-92528382022-07-05 SWORD2: hierarchical analysis of protein 3D structures Cretin, Gabriel Galochkina, Tatiana Vander Meersche, Yann de Brevern, Alexandre G Postic, Guillaume Gelly, Jean-Christophe Nucleic Acids Res Web Server Issue Understanding the functions and origins of proteins requires splitting these macromolecules into fragments that could be independent in terms of folding, activity, or evolution. For that purpose, structural domains are the typical level of analysis, but shorter segments, such as subdomains and supersecondary structures, are insightful as well. Here, we propose SWORD2, a web server for exploring how an input protein structure may be decomposed into ‘Protein Units’ that can be hierarchically assembled to delimit structural domains. For each partitioning solution, the relevance of the identified substructures is estimated through different measures. This multilevel analysis is achieved by integrating our previous work on domain delineation, ‘protein peeling’ and model quality assessment. We hope that SWORD2 will be useful to biologists searching for key regions in their proteins of interest and to bioinformaticians building datasets of protein structures. The web server is freely available online: https://www.dsimb.inserm.fr/SWORD2. Oxford University Press 2022-05-17 /pmc/articles/PMC9252838/ /pubmed/35580056 http://dx.doi.org/10.1093/nar/gkac370 Text en © The Author(s) 2022. Published by Oxford University Press on behalf of Nucleic Acids Research. https://creativecommons.org/licenses/by/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Web Server Issue
Cretin, Gabriel
Galochkina, Tatiana
Vander Meersche, Yann
de Brevern, Alexandre G
Postic, Guillaume
Gelly, Jean-Christophe
SWORD2: hierarchical analysis of protein 3D structures
title SWORD2: hierarchical analysis of protein 3D structures
title_full SWORD2: hierarchical analysis of protein 3D structures
title_fullStr SWORD2: hierarchical analysis of protein 3D structures
title_full_unstemmed SWORD2: hierarchical analysis of protein 3D structures
title_short SWORD2: hierarchical analysis of protein 3D structures
title_sort sword2: hierarchical analysis of protein 3d structures
topic Web Server Issue
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9252838/
https://www.ncbi.nlm.nih.gov/pubmed/35580056
http://dx.doi.org/10.1093/nar/gkac370
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