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- W4385658766 abstract "Using the X-ray free-electron laser (XFEL) structures of the photosynthetic reaction center from Blastochloris viridis that show light-induced time-dependent structural changes [Dods, R.et al. (2021) Nature 589, 310-314], we investigated time-dependent changes in the energetics of the electron transfer pathway, considering the entire protein environment of the protein structures and titrating the redox active sites in the presence of all fully equilibrated titratable residues. In the dark and charge-separation intermediate structures, the calculated redox potential (Em) values for the accessory bacteriochlorophyll and bacteriopheophytin in the electron-transfer active branch (BL and HL) are higher than those in the electron-transfer inactive branch (BM and HM). However, the stabilization of the [PLPM]•+HL•– state owing to protein reorganization is not clearly observed in the Em(HL) values in the charge-separated 5-ps ([PLPM]•+HL•– state) structure. Furthermore, the expected chlorin ring deformation upon formation of HL•– (saddling mode) is absent in the HL geometry of the original 5-ps structure. These findings suggest that there is no clear link between the time-dependent structural changes and the electron transfer events in the XFEL structures." @default.
- W4385658766 created "2023-08-09" @default.
- W4385658766 date "2023-08-08" @default.
- W4385658766 modified "2023-09-27" @default.
- W4385658766 title "Reviewer #2 (Public Review): Absence of electron transfer-associated changes in the time-dependent X-ray free-electron laser structures of the photosynthetic reaction center" @default.
- W4385658766 doi "https://doi.org/10.7554/elife.88955.2.sa2" @default.
- W4385658766 hasPublicationYear "2023" @default.
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