OEAW-Logo OEAW-Logo
Special Semester on Quantitative Biology analyzed by Mathematical Methods
Linz, October 1, 2007 - January 27, 2008
Water, proton, and ion transport: from nanotubes to proteins

Workshop on Ion Channels, Tue, 09 Oct, 2007

Speaker: Gerhard Hummer

Abstract

Protein channels transporting polar substances such as water, protons, and ions are often lined, at least in part, by nonpolar residues. To explain this puzzling observation, I will explore the structural, dynamic, and thermodynamic properties of water and ions in molecular confinement. Computer simulations of solvated nanotubes and proteins show that weakly polar cavities can be filled by water at equilibrium, but such filling is highly sensitive to small variations in the polarity of the cavity. In the filled state, water forms wires and clusters held together by tight hydrogen bonds. Simulations on quantum energy surfaces also show that 1D water wires in hydrophobic environments facilitate rapid proton motion. The unique properties of water in weakly polar channels help explain the rapid flow of water through molecular pores, the controlled proton flow in enzymes, the gating of ion transport through membrane channels, the sequence specificity of biopolymer transport through nanopores, and the function of mitochondrial proton pumps.

< Back | ^ Top


URL: www.ricam.oeaw.ac.at/specsem/ssqbm/participants/abstracts/index.php

This page was made with 100% valid HTML & CSS - Send comments to Webmaster
Today's date and time is 03/28/24 - 22:15 CEST and this file (/specsem/ssqbm/participants/abstracts/index.php) was last modified on 12/18/12 - 11:01 CEST

Impressum