Seminars & Events

Argonne Leadership Computing Facility
"Multiscale Modeling of Proton Solvation and Transport in Aquaporin-1 Channels"

DATE: October 28, 2011
TIME: 1:30 PM - 2:30 PM
SPEAKER: Hui Li, Research Assistant, Dept. of Chemistry, University of Chicago
LOCATION: Building 240 / Room 4301, Argonne National Laboratory
HOST: Timothy Williams

Description:
Aquaporin-1 (AQP1) is a specialized membrane protein that is crucial to facilitating rapid water exchange across biological membranes. As a representative example of the aquaporin family, the precise interpretation of its fingerprint structures is critical to understanding the general diversification of plants and vertebrates, as well as AQP1’s specific role in developing electrochemical gradient across the cell membranes. In this presentation, recent progress on clarifying the mechanism of proton solvation and transport in a series of AQP1 mutant channels will be addressed. Our multiscale modeling indicates the function of protonatable residues in determining channel proton conductance. The influence of the proton on alkali cation translation behaviors will also be addressed. Finally, the implications of this study on the evolution of the major intrinsic proteins will be presented.

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