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Torsion angles to map and visualize the conformational space of a protein
Present understanding of protein structure dynamics trails behind that of static structures. A torsion‐angle‐based approach, called the representation of protein entities, derives an interpretable conformational space that correlates with data collection temperature, resolution, and reaction coordin...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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John Wiley & Sons, Inc.
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10022581/ https://www.ncbi.nlm.nih.gov/pubmed/36840926 http://dx.doi.org/10.1002/pro.4608 |
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author | Ginn, Helen Mary |
author_facet | Ginn, Helen Mary |
author_sort | Ginn, Helen Mary |
collection | PubMed |
description | Present understanding of protein structure dynamics trails behind that of static structures. A torsion‐angle‐based approach, called the representation of protein entities, derives an interpretable conformational space that correlates with data collection temperature, resolution, and reaction coordinate. For more complex systems, atomic coordinates fail to separate functional conformational states, which are still preserved by torsion angle‐derived space. This indicates that torsion angles are often a more sensitive and biologically relevant descriptor for protein conformational dynamics than atomic coordinates. |
format | Online Article Text |
id | pubmed-10022581 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | John Wiley & Sons, Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-100225812023-04-01 Torsion angles to map and visualize the conformational space of a protein Ginn, Helen Mary Protein Sci Tools for Protein Science Present understanding of protein structure dynamics trails behind that of static structures. A torsion‐angle‐based approach, called the representation of protein entities, derives an interpretable conformational space that correlates with data collection temperature, resolution, and reaction coordinate. For more complex systems, atomic coordinates fail to separate functional conformational states, which are still preserved by torsion angle‐derived space. This indicates that torsion angles are often a more sensitive and biologically relevant descriptor for protein conformational dynamics than atomic coordinates. John Wiley & Sons, Inc. 2023-04-01 /pmc/articles/PMC10022581/ /pubmed/36840926 http://dx.doi.org/10.1002/pro.4608 Text en © 2023 The Author. Protein Science published by Wiley Periodicals LLC on behalf of The Protein Society. https://creativecommons.org/licenses/by/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Tools for Protein Science Ginn, Helen Mary Torsion angles to map and visualize the conformational space of a protein |
title | Torsion angles to map and visualize the conformational space of a protein |
title_full | Torsion angles to map and visualize the conformational space of a protein |
title_fullStr | Torsion angles to map and visualize the conformational space of a protein |
title_full_unstemmed | Torsion angles to map and visualize the conformational space of a protein |
title_short | Torsion angles to map and visualize the conformational space of a protein |
title_sort | torsion angles to map and visualize the conformational space of a protein |
topic | Tools for Protein Science |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10022581/ https://www.ncbi.nlm.nih.gov/pubmed/36840926 http://dx.doi.org/10.1002/pro.4608 |
work_keys_str_mv | AT ginnhelenmary torsionanglestomapandvisualizetheconformationalspaceofaprotein |