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《中国化学会-生物物理化学专业委员会第四届全国生物物理化学会议论文集》2016年
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Elucidation of Energy Transfer in the Photosystem Ⅱ Reaction Center

张璐  
【摘要】:One longstanding puzzle concerning photosystem Ⅱ, a core component of photosynthesis, is that only one of the two symmetric branches in its reaction centre is active in electron transfer. To investigate the effect of the photosystem Ⅱ environment on the preferential selection of the energy transfer pathway(a prerequisite for electron transfer), we have constructed an exciton model via extensive molecular dynamics simulations and quantum mechanics/molecular mechanics calculations based on a recent X-ray structure. Our results suggest that it is essential to take into account an ensemble of protein conformations to accurately compute the site energies. We identify the cofactor CLA606 of active chain as the most probable site for the energy excitation.We further pinpoint a number of charged protein residues that collectively lower the CLA606 site energy. Our work provides insights into the understanding of molecular mechanisms of the core machinery of the green-plant photosynthesis.
【作者单位】:香港科技大学
【分类号】:Q945.11

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