Binding of the substrate analog methanol in the oxygen-evolving complex of photosystem II in the D1-N87A genetic variant of cyanobacteria

Kalendra, Vidmantas; Reiss, Krystle M.; Banerjee, Gourab; Ghosh, Ipsita; Baldansuren, Amgalanbaatar; Batista, Victor S.; Brudvig, Gary W.; Lakshmi, K. V.

doi:10.1039/d1fd00094b

Title: Binding of the substrate analog methanol in the oxygen-evolving complex of photosystem II in the D1-N87A genetic variant of cyanobacteria

Journal Article · 10 February 2022 · Faraday Discussions

DOI: https://doi.org/10.1039/d1fd00094b · OSTI ID:1860619

Kalendra, Vidmantas ^[1]; Reiss, Krystle M. ^[2]; Banerjee, Gourab ^[2]; Ghosh, Ipsita ^[2]; Baldansuren, Amgalanbaatar ^[3]; Batista, Victor S. ^[2];

^[2];

^[3]

Rensselaer Polytechnic Inst., Troy, NY (United States); Yale University
Yale Univ., New Haven, CT (United States)
Rensselaer Polytechnic Inst., Troy, NY (United States)

The solar water-splitting protein complex, photosystem II (PSII), catalyzes one of the most energetically demanding reactions in nature by using light energy to drive a catalyst capable of oxidizing water. The water oxidation reaction is catalyzed at the Mn₄Ca-oxo cluster in the oxygen-evolving complex (OEC), which cycles through five light-driven S-state intermediates (S₀–S₄). A detailed mechanism of the reaction remains elusive as it requires knowledge of the delivery and binding of substrate water in the higher S-state intermediates. In this paper, we use two-dimensional (2D) hyperfine sublevel correlation spectroscopy, in conjunction with quantum mechanics/molecular mechanics (QM/MM) and density functional theory (DFT), to probe the binding of the substrate analog, methanol, in the S₂ state of the D1-N87A variant of PSII from Synechocystis sp. PCC 6803. The results indicate that the size and specificity of the “narrow” channel is altered in D1-N87A PSII, allowing for the binding of deprotonated ¹³C-labeled methanol at the Mn4(IV) ion of the catalytic cluster in the S₂ state. This has important implications on the mechanistic models for water oxidation in PSII.

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Research Organization:: Rensselaer Polytechnic Institute, Troy, NY (United States); Yale Univ., New Haven, CT (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)

Grant/Contract Number:: FG02-05ER15646; FG02-07ER15903; SC0001423

OSTI ID:: 1860619

Journal Information:: Faraday Discussions, Journal Name: Faraday Discussions Vol. 234; ISSN 1359-6640

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Journal Article · 2021 · Proceedings of the National Academy of Sciences of the United States of America · OSTI ID:1837119

Gisriel, Christopher J.; Wang, Jimin; Liu, Jinchan; +9 more

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
59 BASIC BIOLOGICAL SCIENCES
EPR spectroscopy
HYSCORE spectroscopy
Photosystem II
S2 state
methanol
oxygen evolution
oxygen-evolving complex
substrate binding

Title: Binding of the substrate analog methanol in the oxygen-evolving complex of photosystem II in the D1-N87A genetic variant of cyanobacteria

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