Role of water in the selection of stable proteins at ambient and extreme thermodynamic conditions

Proteins that are functional at ambient conditions do not necessarily work at extreme conditions of temperature T and pressure P. Furthermore, there are limits of T and P above which no protein has a stable functional state. Here, we show that these limits and the selection mechanisms for working pr...

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Detalhes bibliográficos
Autores: Bianco, Valentino, Franzese, Giancarlo, Dellago, Christoph, Coluzza, Ivan
Tipo de documento: artigo
Estado:Versão publicada
Data de publicação:2017
País:España
Recursos:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositório:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2445/114302
Acesso em linha:https://hdl.handle.net/2445/114302
Access Level:Acceso aberto
Palavra-chave:Proteïnes
Termodinàmica
Aigua
Proteins
Thermodynamics
Water
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spelling Role of water in the selection of stable proteins at ambient and extreme thermodynamic conditionsBianco, ValentinoFranzese, GiancarloDellago, ChristophColuzza, IvanProteïnesTermodinàmicaAiguaProteinsThermodynamicsWaterProteins that are functional at ambient conditions do not necessarily work at extreme conditions of temperature T and pressure P. Furthermore, there are limits of T and P above which no protein has a stable functional state. Here, we show that these limits and the selection mechanisms for working proteins depend on how the properties of the surrounding water change with T and P. We find that proteins selected at high T are superstable and are characterized by a nonextreme segregation of a hydrophilic surface and a hydrophobic core. Surprisingly, a larger segregation reduces the stability range in T and P. Our computer simulations, based on a new protein design protocol, explain the hydropathy profile of proteins as a consequence of a selection process influenced by water. Our results, potentially useful for engineering proteins and drugs working far from ambient conditions, offer an alternative rationale to the evolutionary action exerted by the environment in extreme conditions.American Physical Society2017201720172017info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersion15 p.application/pdfhttps://hdl.handle.net/2445/114302Articles publicats en revistes (Física de la Matèria Condensada)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)InglésReproducció del document publicat a: https://doi.org/10.1103/PhysRevX.7.021047Physical Review X, 2017, vol. 7, num. 2, p. 021047https://doi.org/10.1103/PhysRevX.7.021047cc-by (c) Bianco, Valentino et al., 2017http://creativecommons.org/licenses/by/3.0/esinfo:eu-repo/semantics/openAccessoai:recercat.cat:2445/1143022026-05-29T05:05:01Z
dc.title.none.fl_str_mv Role of water in the selection of stable proteins at ambient and extreme thermodynamic conditions
title Role of water in the selection of stable proteins at ambient and extreme thermodynamic conditions
spellingShingle Role of water in the selection of stable proteins at ambient and extreme thermodynamic conditions
Bianco, Valentino
Proteïnes
Termodinàmica
Aigua
Proteins
Thermodynamics
Water
title_short Role of water in the selection of stable proteins at ambient and extreme thermodynamic conditions
title_full Role of water in the selection of stable proteins at ambient and extreme thermodynamic conditions
title_fullStr Role of water in the selection of stable proteins at ambient and extreme thermodynamic conditions
title_full_unstemmed Role of water in the selection of stable proteins at ambient and extreme thermodynamic conditions
title_sort Role of water in the selection of stable proteins at ambient and extreme thermodynamic conditions
dc.creator.none.fl_str_mv Bianco, Valentino
Franzese, Giancarlo
Dellago, Christoph
Coluzza, Ivan
author Bianco, Valentino
author_facet Bianco, Valentino
Franzese, Giancarlo
Dellago, Christoph
Coluzza, Ivan
author_role author
author2 Franzese, Giancarlo
Dellago, Christoph
Coluzza, Ivan
author2_role author
author
author
dc.subject.none.fl_str_mv Proteïnes
Termodinàmica
Aigua
Proteins
Thermodynamics
Water
topic Proteïnes
Termodinàmica
Aigua
Proteins
Thermodynamics
Water
description Proteins that are functional at ambient conditions do not necessarily work at extreme conditions of temperature T and pressure P. Furthermore, there are limits of T and P above which no protein has a stable functional state. Here, we show that these limits and the selection mechanisms for working proteins depend on how the properties of the surrounding water change with T and P. We find that proteins selected at high T are superstable and are characterized by a nonextreme segregation of a hydrophilic surface and a hydrophobic core. Surprisingly, a larger segregation reduces the stability range in T and P. Our computer simulations, based on a new protein design protocol, explain the hydropathy profile of proteins as a consequence of a selection process influenced by water. Our results, potentially useful for engineering proteins and drugs working far from ambient conditions, offer an alternative rationale to the evolutionary action exerted by the environment in extreme conditions.
publishDate 2017
dc.date.none.fl_str_mv 2017
2017
2017
2017
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/114302
url https://hdl.handle.net/2445/114302
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.1103/PhysRevX.7.021047
Physical Review X, 2017, vol. 7, num. 2, p. 021047
https://doi.org/10.1103/PhysRevX.7.021047
dc.rights.none.fl_str_mv cc-by (c) Bianco, Valentino et al., 2017
http://creativecommons.org/licenses/by/3.0/es
info:eu-repo/semantics/openAccess
rights_invalid_str_mv cc-by (c) Bianco, Valentino et al., 2017
http://creativecommons.org/licenses/by/3.0/es
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 15 p.
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv Articles publicats en revistes (Física de la Matèria Condensada)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,81155

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