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Molecular dynamics studies of pathways of water movement in cyanobacterial photosystem II

机译:蓝细菌光系统中水运动路径的分子动力学研究II

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摘要

Photosystem II (PSII) catalyzes the light-induced generation of oxygen from water. The oxygen-evolving complex is buried deep in the protein on the lumenal side of PSII, and water molecules need to pass through protein subunits to reach the active site-the manganese cluster. Previous studies on the elucidation of water channels in PSII were based on an analysis of the cavities in the static PSII structure determined by X-ray diffraction. In the present study, we perform molecular dynamics simulations of the water movement in the transport system of PSII.
机译:光系统II(PSII)催化光诱导的水中氧气的产生。放氧复合物深埋在PSII腔侧蛋白质的深处,水分子需要通过蛋白质亚基才能到达活性位点-锰簇。先前对PSII中水通道的阐明的研究是基于对X射线衍射确定的静态PSII结构中空腔的分析。在本研究中,我们对PSII传输系统中水的运动进行分子动力学模拟。

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