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The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein
Chem ( IF 18.205 ) Pub Date : 2019-11-21 , DOI: 10.1016/j.chempr.2019.10.014
Mattia Bondanza, Lorenzo Cupellini, Filippo Lipparini, Benedetta Mennucci

Orange carotenoid protein (OCP) is a carotenoid-binding protein involved in photo-protection mechanisms of cyanobacteria. Upon exposure to high light, OCP interconverts from an orange resting form (OCPO) to a red active one (OCPR); the mechanism of this interconversion, even if extensively studied, has still not been fully elucidated. In this work, we use multiscale atomistic models ranging from classical to hybrid quantum-classical (QM/MM) molecular dynamics to give a comprehensive molecular explanation of the drastic spectroscopic changes observed upon interconversion. The findings are finally used to formulate a new hypothesis on the role of the protein in the photoactivation mechanism.
更新日期:2019-11-22

 

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