Dielectric saturation of water in a membrane protein channel
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Otros documentos de la autoría: Aguilella-Arzo, Marcel; Andrio, Andreu; Aguilella, Vicente; Alcaraz, Antonio
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comunitat-uji-handle2:10234/2507
comunitat-uji-handle3:10234/6973
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Dielectric saturation of water in a membrane protein channelFecha de publicación
2009Editor
Royal Society of ChemistryISSN
1463-9076Cita bibliográfica
AGUILELLA-ARZO, Marcel, et al. Dielectric saturation of water in a membrane protein channel. Physical Chemistry Chemical Physics, 2009, vol. 11, no 2, p. 358-365.Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
https://www.semanticscholar.org/paper/Dielectric-saturation-of-water-in-a-membra ...Versión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Resumen
Water molecules in confined geometries like nanopores and biological ion channels exhibit
structural and dynamical properties very different from those found in free solution. Protein
channels that open aqueous pores ... [+]
Water molecules in confined geometries like nanopores and biological ion channels exhibit
structural and dynamical properties very different from those found in free solution. Protein
channels that open aqueous pores through biological membranes provide a complex spatial and
electrostatic environment that decreases the translational and rotational mobility of water
molecules, thus altering the effective dielectric constant of the pore water. By using the Booth
equation, we study the effect of the large electric field created by ionizable residues of an
hour-glass shaped channel, the bacterial porin OmpF, on the pore water dielectric constant,
ew. We find a space-dependent significant reduction (down to 20) of ew that may explain some
ad hoc assumptions about the dielectric constant of the protein and the water pore made to
reconcile model calculations with measurements of permeation properties and pKa’s of protein
residues. The electric potential calculations based on the OmpF protein atomic structure and the
Booth field-dependent dielectric constant show that protein dielectric constants ca. 10 yield good
agreement with molecular dynamics simulations as well as permeation experiments [-]
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Physical chemistry chemical physics, 2009, v. 11, n. 2Derechos de acceso
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