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Role of Water in the Selection of Stable Proteins at Ambient and Extreme Thermodynamic Conditions

Autor(en)
Valentino Bianco, Giancarlo Franzese, Christoph Dellago, Ivan Coluzza
Abstrakt

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.

Organisation(en)
Computergestützte Physik und Physik der Weichen Materie
Externe Organisation(en)
Universitat de Barcelona
Journal
Physical Review X
Band
7
Anzahl der Seiten
15
ISSN
2160-3308
DOI
https://doi.org/10.1103/PhysRevX.7.021047
Publikationsdatum
06-2017
Peer-reviewed
Ja
ÖFOS 2012
106006 Biophysik, 106002 Biochemie, 103029 Statistische Physik
Schlagwörter
ASJC Scopus Sachgebiete
Allgemeine Physik und Astronomie
Link zum Portal
https://ucrisportal.univie.ac.at/de/publications/27a3c4b3-c04b-4fc8-9b9a-ede10ec0d60e