二氧化碳是否通过水通道蛋白-1渗透？
Does CO2 permeate through aquaporin-1?
作者信息
Hub Jochen S, de Groot Bert L
机构信息
Computational Biomolecular Dynamics Group, Max-Planck-Institute for Biophysical Chemistry, Göttingen, Germany.
出版信息
Biophys J. 2006 Aug 1;91(3):842-8. doi: 10.1529/biophysj.106.081406. Epub 2006 May 12.
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 in membranes with a low intrinsic CO(2) permeability.
摘要
水通道蛋白促进水透过生物膜。此外，甘油和其他小的中性溶质可通过相关的水甘油通道蛋白渗透。水通道蛋白在气体渗透中的作用一直是一个长期存在且备受争议的问题。我们进行了一系列广泛的原子分子动力学模拟，以解决二氧化碳通过人水通道蛋白-1渗透的问题。模拟得出的自由能分布显示，在水通道的芳香族/精氨酸收缩区域存在约23 kJ/mol的能垒，而对于棕榈酰油酰磷脂酰乙醇胺脂质双层膜，能垒约为4 kJ/mol。结果表明，只有在具有低固有二氧化碳渗透性的膜中，才有望出现显著的水通道蛋白-1介导的二氧化碳渗透。
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