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Deep mining of the protein energy landscape
For over half a century, it has been known that protein molecules naturally undergo extensive structural fluctuations, and that these internal motions are intimately related to their functional properties. The energy landscape view has provided a powerful framework for describing the various physica...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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American Crystallographic Association
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10147411/ https://www.ncbi.nlm.nih.gov/pubmed/37124940 http://dx.doi.org/10.1063/4.0000180 |
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author | Wand, A. Joshua |
author_facet | Wand, A. Joshua |
author_sort | Wand, A. Joshua |
collection | PubMed |
description | For over half a century, it has been known that protein molecules naturally undergo extensive structural fluctuations, and that these internal motions are intimately related to their functional properties. The energy landscape view has provided a powerful framework for describing the various physical states that proteins visit during their lifetimes. This Perspective focuses on the commonly neglected and often disparaged axis of the protein energy landscape: entropy. Initially seen largely as a barrier to functionally relevant states of protein molecules, it has recently become clear that proteins retain considerable conformational entropy in the “native” state, and that this entropy can and often does contribute significantly to the free energy of fundamental protein properties, processes, and functions. NMR spectroscopy, molecular dynamics simulations, and emerging crystallographic views have matured in parallel to illuminate dynamic disorder of the “ground state” of proteins and their importance in not only transiting between biologically interesting structures but also greatly influencing their stability, cooperativity, and contribution to critical properties such as allostery. |
format | Online Article Text |
id | pubmed-10147411 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | American Crystallographic Association |
record_format | MEDLINE/PubMed |
spelling | pubmed-101474112023-04-29 Deep mining of the protein energy landscape Wand, A. Joshua Struct Dyn Perspectives (Invited) For over half a century, it has been known that protein molecules naturally undergo extensive structural fluctuations, and that these internal motions are intimately related to their functional properties. The energy landscape view has provided a powerful framework for describing the various physical states that proteins visit during their lifetimes. This Perspective focuses on the commonly neglected and often disparaged axis of the protein energy landscape: entropy. Initially seen largely as a barrier to functionally relevant states of protein molecules, it has recently become clear that proteins retain considerable conformational entropy in the “native” state, and that this entropy can and often does contribute significantly to the free energy of fundamental protein properties, processes, and functions. NMR spectroscopy, molecular dynamics simulations, and emerging crystallographic views have matured in parallel to illuminate dynamic disorder of the “ground state” of proteins and their importance in not only transiting between biologically interesting structures but also greatly influencing their stability, cooperativity, and contribution to critical properties such as allostery. American Crystallographic Association 2023-04-27 /pmc/articles/PMC10147411/ /pubmed/37124940 http://dx.doi.org/10.1063/4.0000180 Text en © 2023 Author(s). https://creativecommons.org/licenses/by/4.0/All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) ). |
spellingShingle | Perspectives (Invited) Wand, A. Joshua Deep mining of the protein energy landscape |
title | Deep mining of the protein energy landscape |
title_full | Deep mining of the protein energy landscape |
title_fullStr | Deep mining of the protein energy landscape |
title_full_unstemmed | Deep mining of the protein energy landscape |
title_short | Deep mining of the protein energy landscape |
title_sort | deep mining of the protein energy landscape |
topic | Perspectives (Invited) |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10147411/ https://www.ncbi.nlm.nih.gov/pubmed/37124940 http://dx.doi.org/10.1063/4.0000180 |
work_keys_str_mv | AT wandajoshua deepminingoftheproteinenergylandscape |