Deformation of chlorin rings in the Photosystem II crystal structure

Biochemistry
Keisuke SaitoHiroshi Ishikita

Abstract

The crystal structure of Photosystem II (PSII) analyzed at a resolution of 1.9 Å revealed deformations of chlorin rings in the chlorophylls for the first time. We investigated the degrees of chlorin ring deformation and factors that contributed to them in the PSII crystal structure, using a normal-coordinate structural decomposition procedure. The out-of-plane distortion of the P(D1) chlorin ring can be described predominantly by a large "doming mode" arising from the axial ligand, D1-His198, as well as the chlorophyll side chains and PSII protein environment. In contrast, the deformation of P(D2) was caused by a "saddling mode" arising from the D2-Trp191 ring and the doming mode arising from D2-His197. Large ruffling modes, which were reported to lower the redox potential in heme proteins, were observed in P(D1) and Chl(D1), but not in P(D2) and Chl(D2). Furthermore, as P(D1) possessed the largest doming mode among the reaction center chlorophylls, the corresponding bacteriochlorophyll P(L) possessed the largest doming mode in bacterial photosynthetic reaction centers. However, the majority of the redox potential shift in the protein environment was determined by the electrostatic environment. The difference in the chlorin rin...Continue Reading

References

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Citations

Nov 21, 2015·Journal of the American Chemical Society·Daniele NarziLeonardo Guidoni
Jun 14, 2015·Journal of Photochemistry and Photobiology. B, Biology·Frank MühThomas Renger
Apr 22, 2016·Angewandte Chemie·Dominika BednarczykDror Noy
May 7, 2016·Journal of Chemical Theory and Computation·Carl-Mikael SuomivuoriVille R I Kaila
Jul 1, 2020·Proceedings of the National Academy of Sciences of the United States of America·Hiroyuki TamuraHiroshi Ishikita
Mar 16, 2019·Physical Chemistry Chemical Physics : PCCP·Carl-Mikael SuomivuoriDage Sundholm
Dec 4, 2020·Nature·Robert DodsRichard Neutze
Feb 19, 2021·Nature Communications·Tomoaki KawakamiZheng-Yu Wang-Otomo

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