Effective pore size and radius of capture for K+ ions in K-channels

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dc.contributor.authorMoldenhauer, H.
dc.contributor.authorDiaz-Franulic, I.
dc.contributor.authorGonzalez-Nilo, F.
dc.contributor.authorNaranjo, D.
dc.date.accessioned2017-08-17T15:56:22Z
dc.date.available2017-08-17T15:56:22Z
dc.date.issued2016-02
dc.descriptionIndexación: Web of Science; Scopus.es_CL
dc.description.abstractReconciling protein functional data with crystal structure is arduous because rare conformations or crystallization artifacts occur. Here we present a tool to validate the dimensions of open pore structures of potassium-selective ion channels. We used freely available algorithms to calculate the molecular contour of the pore to determine the effective internal pore radius (r(E)) in several K-channel crystal structurss. r(E) was operationally defined as the radius of the biggest sphere able to enter the pore from the cytosolic side. We obtained consistent r(E) estimates for MthK and Kv1.2/2.1 structures, with r(E) = 5.3-5.9 angstrom and r(E) = 4.5-5.2 angstrom, respectively. We compared these structural estimates with functional assessments of the internal mouth radii of capture (r(C)) for two electrophysiological counterparts, the large conductance calcium activated K-channel (r(C) = 2.2 angstrom) and the Shaker K-v-channel (r(C) = 0.8 angstrom), for MthK and Kv1.2/2.1 structures, respectively. Calculating the difference between r(E) and r(C), produced consistent size radii of 3.1-3.7 angstrom and 3.6-4.4 angstrom for hydrated K+ ions. These hydrated K+ estimates harmonize with others obtained with diverse experimental and theoretical methods. Thus, these findings validate MthK and the Kv1.2/2.1 structures as templates for open BK and Kv-channels, respectively.es_CL
dc.description.urihttp://recursosbiblioteca.unab.cl:2226/articles/srep19893
dc.identifier.citationScientific Reports 6, Article number: 19893 (2016)es_CL
dc.identifier.issn2045-2322
dc.identifier.otherdoi:10.1038/srep19893
dc.identifier.urihttp://repositorio.unab.cl/xmlui/handle/ria/3962
dc.language.isoenes_CL
dc.publisherNATURE PUBLISHING GROUPes_CL
dc.subjectPotassium Channelses_CL
dc.subjectBK Channelses_CL
dc.subjectLipid-Membranees_CL
dc.subjectSelectivityes_CL
dc.subjectConductiones_CL
dc.subjectGatees_CL
dc.subjectResolutiones_CL
dc.subjectHydratationes_CL
dc.subjectSurfaceses_CL
dc.titleEffective pore size and radius of capture for K+ ions in K-channelses_CL
dc.typeArtículoes_CL
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