Does CO2 permeate through aquaporin-1?

ABSTRACT: Aquaporins facilitate water permeation across biological membranes. Additionally, glycerol and other small neutral solutes are permeated by related aquaglyceroporins. The role of aquaporins in gas permeation has been a long-standing and controversially discussed issue. We present an extensive set of atomistic molecular dynamics simulations that address the question of CO(2) permeation through human aquaporin-1. Free energy profiles derived from the simulations display a barrier of approximately 23 kJ/mol in the aromatic/arginine constriction region of the water pore, whereas a barrier of approximately 4 kJ/mol was observed for a palmitoyloleoylphosphatidylethanolamine lipid bilayer membrane. The results indicate that significant aquaporin-1-mediated CO(2) permeation is to be expected only

SUBMITTER: Hub JS 

PROVIDER: S-EPMC1563782 | biostudies-literature | 2006 Aug

REPOSITORIES: biostudies-literature