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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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Autor principal: Ginn, Helen Mary
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley & Sons, Inc. 2023
Materias:
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
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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.
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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
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