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Protein crystal lattices are dynamic assemblies: the role of conformational entropy in the protein condensed phase

Until recently, the occurrence of conformational entropy in protein crystal contacts was considered to be a very unlikely event. A study based on the most accurately refined protein structures demonstrated that side-chain conformational entropy and static disorder might be common in protein crystal...

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Detalles Bibliográficos
Autores principales: Dimova, Margarita, Devedjiev, Yancho D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947717/
https://www.ncbi.nlm.nih.gov/pubmed/29765602
http://dx.doi.org/10.1107/S2052252517017833
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author Dimova, Margarita
Devedjiev, Yancho D.
author_facet Dimova, Margarita
Devedjiev, Yancho D.
author_sort Dimova, Margarita
collection PubMed
description Until recently, the occurrence of conformational entropy in protein crystal contacts was considered to be a very unlikely event. A study based on the most accurately refined protein structures demonstrated that side-chain conformational entropy and static disorder might be common in protein crystal lattices. The present investigation uses structures refined using ensemble refinement to show that although paradoxical, conformational entropy is likely to be the major factor in the emergence and integrity of the protein condensed phase. This study reveals that the role of shape entropy and local entropic forces expands beyond the onset of crystallization. For the first time, the complete pattern of intermolecular interactions by protein atoms in crystal lattices is presented, which shows that van der Waals interactions dominate in crystal formation.
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spelling pubmed-59477172018-05-15 Protein crystal lattices are dynamic assemblies: the role of conformational entropy in the protein condensed phase Dimova, Margarita Devedjiev, Yancho D. IUCrJ Research Papers Until recently, the occurrence of conformational entropy in protein crystal contacts was considered to be a very unlikely event. A study based on the most accurately refined protein structures demonstrated that side-chain conformational entropy and static disorder might be common in protein crystal lattices. The present investigation uses structures refined using ensemble refinement to show that although paradoxical, conformational entropy is likely to be the major factor in the emergence and integrity of the protein condensed phase. This study reveals that the role of shape entropy and local entropic forces expands beyond the onset of crystallization. For the first time, the complete pattern of intermolecular interactions by protein atoms in crystal lattices is presented, which shows that van der Waals interactions dominate in crystal formation. International Union of Crystallography 2018-01-10 /pmc/articles/PMC5947717/ /pubmed/29765602 http://dx.doi.org/10.1107/S2052252517017833 Text en © Margarita Dimova et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Papers
Dimova, Margarita
Devedjiev, Yancho D.
Protein crystal lattices are dynamic assemblies: the role of conformational entropy in the protein condensed phase
title Protein crystal lattices are dynamic assemblies: the role of conformational entropy in the protein condensed phase
title_full Protein crystal lattices are dynamic assemblies: the role of conformational entropy in the protein condensed phase
title_fullStr Protein crystal lattices are dynamic assemblies: the role of conformational entropy in the protein condensed phase
title_full_unstemmed Protein crystal lattices are dynamic assemblies: the role of conformational entropy in the protein condensed phase
title_short Protein crystal lattices are dynamic assemblies: the role of conformational entropy in the protein condensed phase
title_sort protein crystal lattices are dynamic assemblies: the role of conformational entropy in the protein condensed phase
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947717/
https://www.ncbi.nlm.nih.gov/pubmed/29765602
http://dx.doi.org/10.1107/S2052252517017833
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