Dynamic Carboxylate/Water Networks on the Surface of the PsbO Subunit of Photosystem II

The Journal of Physical Chemistry. B
Sebastian LorchAna-Nicoleta Bondar

Abstract

Clusters of charged groups on the surface of proton-transfer proteins may participate in proton transfers. PsbO, an extrinsic subunit of photosystem II, is a carboxylate-rich protein part of an extensive hydrogen-bond network leading to the catalytic site. This raises the important question as to whether specific clusters of carboxylate groups on the surface of PsbO may directly assist transfer of protons from the catalytic site to the bulk. From molecular dynamics simulations of PsbO in aqueous solution, we find that, close to the surface of PsbO, the mobility of water molecules is lower than that for bulk water. At the site where PsbO docks and hydrogen bonds to photosystem II, water molecules have low mobility, and we identify a carboxylate cluster with persistent bridging of the carboxylates via short hydrogen-bonding water wires. This water-bridged carboxylate cluster could be important for proton transfer and binding of PsbO to photosystem II.

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Citations

Jun 1, 2016·Biochimica Et Biophysica Acta·Lada Biedermannová, Bohdan Schneider
Mar 21, 2017·Biochimica Et Biophysica Acta. Bioenergetics·Coral Del Val, Ana-Nicoleta Bondar
Aug 30, 2017·Journal of Computational Chemistry·Suliman AdamAna-Nicoleta Bondar
Mar 11, 2018·The Journal of Membrane Biology·Konstantina Karathanou, Ana-Nicoleta Bondar
Jan 14, 2020·Chembiochem : a European Journal of Chemical Biology·Lisa GerlandHartmut Oschkinat
Feb 19, 2020·Protein Science : a Publication of the Protein Society·Frank Müh, Athina Zouni
Jan 14, 2016·Planta·Johnna L RooseTerry M Bricker
Nov 13, 2019·Physical Chemistry Chemical Physics : PCCP·Lukas KemmlerAna-Nicoleta Bondar
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May 26, 2017·PloS One·Joadson Dutra de SouzaAbelmon da Silva Gesteira
Jun 9, 2017·Proceedings of the National Academy of Sciences of the United States of America·Philip Ball
Apr 4, 2021·The Journal of Membrane Biology·Sara Capponi
May 9, 2021·Biochimica Et Biophysica Acta. Bioenergetics·Divya KaurM R Gunner
Jun 17, 2021·Journal of Chemical Information and Modeling·Malte Siemers, Ana-Nicoleta Bondar
Mar 29, 2018·The Journal of Physical Chemistry. B·Federico GuerraAna-Nicoleta Bondar
Oct 28, 2019·Journal of Chemical Theory and Computation·Malte SiemersAna-Nicoleta Bondar
Apr 26, 2019·Chemical Reviews·Ana-Nicoleta Bondar, M Joanne Lemieux
May 1, 2019·Journal of Chemical Information and Modeling·Konstantina Karathanou, Ana-Nicoleta Bondar

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