Structural dynamics in the water and proton channels of photosystem II during the S2 to S3 transition. Hussein, R., Ibrahim, M., Bhowmick, A., Simon, P. S., Chatterjee, R., Lassalle, L., Doyle, M., Bogacz, I., Kim, I., Cheah, M. H., Gul, S., de Lichtenberg, C., Chernev, P., Pham, C. C., Young, I. D., Carbajo, S., Fuller, F. D., Alonso-Mori, R., Batyuk, A., Sutherlin, K. D., Brewster, A. S., Bolotovsky, R., Mendez, D., Holton, J. M., Moriarty, N. W., Adams, P. D., Bergmann, U., Sauter, N. K., Dobbek, H., Messinger, J., Zouni, A., Kern, J., Yachandra, V. K., & Yano, J. Nature Communications, 12(1):6531, November, 2021. Publisher: Nature Publishing Group![Structural dynamics in the water and proton channels of photosystem II during the S2 to S3 transition [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi abstract bibtex Light-driven oxidation of water to molecular oxygen is catalyzed by the oxygen-evolving complex (OEC) in Photosystem II (PS II). This multi-electron, multi-proton catalysis requires the transport of two water molecules to and four protons from the OEC. A high-resolution 1.89 Å structure obtained by averaging all the S states and refining the data of various time points during the S2 to S3 transition has provided better visualization of the potential pathways for substrate water insertion and proton release. Our results indicate that the O1 channel is the likely water intake pathway, and the Cl1 channel is the likely proton release pathway based on the structural rearrangements of water molecules and amino acid side chains along these channels. In particular in the Cl1 channel, we suggest that residue D1-E65 serves as a gate for proton transport by minimizing the back reaction. The results show that the water oxidation reaction at the OEC is well coordinated with the amino acid side chains and the H-bonding network over the entire length of the channels, which is essential in shuttling substrate waters and protons.
@article{hussein_structural_2021,
title = {Structural dynamics in the water and proton channels of photosystem {II} during the {S2} to {S3} transition},
volume = {12},
copyright = {2021 The Author(s)},
issn = {2041-1723},
url = {https://www.nature.com/articles/s41467-021-26781-z},
doi = {10.1038/s41467-021-26781-z},
abstract = {Light-driven oxidation of water to molecular oxygen is catalyzed by the oxygen-evolving complex (OEC) in Photosystem II (PS II). This multi-electron, multi-proton catalysis requires the transport of two water molecules to and four protons from the OEC. A high-resolution 1.89 Å structure obtained by averaging all the S states and refining the data of various time points during the S2 to S3 transition has provided better visualization of the potential pathways for substrate water insertion and proton release. Our results indicate that the O1 channel is the likely water intake pathway, and the Cl1 channel is the likely proton release pathway based on the structural rearrangements of water molecules and amino acid side chains along these channels. In particular in the Cl1 channel, we suggest that residue D1-E65 serves as a gate for proton transport by minimizing the back reaction. The results show that the water oxidation reaction at the OEC is well coordinated with the amino acid side chains and the H-bonding network over the entire length of the channels, which is essential in shuttling substrate waters and protons.},
language = {en},
number = {1},
urldate = {2024-10-16},
journal = {Nature Communications},
author = {Hussein, Rana and Ibrahim, Mohamed and Bhowmick, Asmit and Simon, Philipp S. and Chatterjee, Ruchira and Lassalle, Louise and Doyle, Margaret and Bogacz, Isabel and Kim, In-Sik and Cheah, Mun Hon and Gul, Sheraz and de Lichtenberg, Casper and Chernev, Petko and Pham, Cindy C. and Young, Iris D. and Carbajo, Sergio and Fuller, Franklin D. and Alonso-Mori, Roberto and Batyuk, Alex and Sutherlin, Kyle D. and Brewster, Aaron S. and Bolotovsky, Robert and Mendez, Derek and Holton, James M. and Moriarty, Nigel W. and Adams, Paul D. and Bergmann, Uwe and Sauter, Nicholas K. and Dobbek, Holger and Messinger, Johannes and Zouni, Athina and Kern, Jan and Yachandra, Vittal K. and Yano, Junko},
month = nov,
year = {2021},
note = {Publisher: Nature Publishing Group},
keywords = {Bioenergetics, Structural biology, X-ray crystallography},
pages = {6531},
}
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