Photosynthetic Reaction Center: A Nonergodic, Dynamically Anisotropic, and Nonlinear Charge-Transport Engine

07 February 2025, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

We ask the question of what is special about photosynthetic reaction-center proteins as media for transporting electrons across the lipid membrane. Ergodicity is broken for the statistics of electrostatic fluctuations in the heliobacterial reaction center studied here by atomistic simulations. It is not restored on the simulation time scale of ~ 1 us, and it allows low activation barriers for electron hops. The medium dynamics are highly anisotropic (depending on the oxidation state) at cofactors sites allowing unidirectional flow of charge. This nonlinear response of the protein to altering oxidation state combines with coupling of cofactor polarizabilities to strong intra-protein electric fields. Nonparabolic and nonergodic free energy surfaces of electron transfer allow low-barrier charge conductivity in proteins.

Keywords

Photosynthesis
protein
electron transfer

Supplementary materials

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Description
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Supporting Information
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Simulation protocols and data analysis
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