| 초록 |
In the present work, we demonstrate that a prokaryotic ClC protein contains no water molecules in its central pore region and that chloride ion passes through this region while being dehydrated by using an atomistic molecular dynamics simulation. When the permeating ion and its surrounding are monitored as a function of the ion position, it is found that a chloride ion at the central pore region is surrounded by hydrogen atoms, instead of water molecules, from both two protein residues with hydroxyl group and several hydrophobic protein residues. This interaction between chloride ion and the hydrogen atoms enables the chloride ion to pass through the central pore region in the absence of water molecules by reducing the energetic cost to detach water molecules from the hydrated ion. |
