ArticlePhotosynthesis research2008
Semi-continuum electrostatic calculations of redox potentials in photosystem I.
Article in Photosynthesis research, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 30 papers.
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Who cites it
30 citing papers in PubMed, 108 citations in OpenAlex.
- Apparent redistribution of electron flow between redox cofactors branches in photosystem I from the menB variants of cyanobacterium Synechocystis sp. PCC 6803.Photosynthesis research · 2026Article
- The commonly used electron donor 2,6-dichlorophenolindophenol also serves as an efficient electron acceptor for Photosystem I.Photosynthesis research · 2025Article
- Cryo-EM structure of a photosystem I variant containing an unusual plastoquinone derivative in its electron transfer chain.Science advances · 2024Article
- Thermodynamic Factors Controlling Electron Transfer among the Terminal Electron Acceptors of Photosystem I: Insights from Kinetic Modelling.International journal of molecular sciences · 2024Article
- Inverted region in the reaction of the quinone reduction in the APhotosynthesis research · 2024Article
- Review
- Redox Potentials of Iron-Sulfur Clusters in Type I Photosynthetic Reaction Centers.The journal of physical chemistry. B · 2023Article
- Cooperative pathway of OBiophysical reviews · 2022Review
- Current state of the primary charge separation mechanism in photosystem I of cyanobacteria.Biophysical reviews · 2022Review
- Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in Proteins.Inorganic chemistry · 2022Article
- Computational Approach for Probing Redox Potential for Iron-Sulfur Clusters in Photosystem I.Biology · 2022Article
- Phylloquinone is the principal Mehler reaction site within photosystem I in high light.Plant physiology · 2021Article
- A dimeric chlorophyll electron acceptor differentiates type I from type II photosynthetic reaction centers.iScience · 2021Article
- Conserved residue PsaB-Trp673 is essential for high-efficiency electron transfer between the phylloquinones and the iron-sulfur clusters in Photosystem I.Photosynthesis research · 2021Article
- Shedding Light on Primary Donors in Photosynthetic Reaction Centers.Frontiers in microbiology · 2021Review
- Generation of ion-radical chlorophyll states in the light-harvesting antenna and the reaction center of cyanobacterial photosystem I.Photosynthesis research · 2020Article
- Generating dihydrogen by tethering an [FeFe]hydrogenase via a molecular wire to the APhotosynthesis research · 2020Article
- Oxygen and ROS in Photosynthesis.Plants (Basel, Switzerland) · 2020Review
- Minimizing an Electron Flow to Molecular Oxygen in Photosynthetic Electron Transfer Chain: An Evolutionary View.Frontiers in plant science · 2020Review
- Kinetics and Energetics of Phylloquinone Reduction in Photosystem I: Insight From Modeling of the Site Directed Mutants.Frontiers in plant science · 2019Review
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Authors and funding
4 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The midpoint redox potentials (E(m)) of all cofactors in photosystem I from Synechococcus elongatus as well as of the iron-sulfur (Fe(4)S(4)) clusters in two soluble ferredoxins from Azotobacter vinelandii and Clostridium acidiurici were calculated within the framework of a semi-continuum dielectric approach. The widely used treatment of proteins as uniform media with single dielectric permittivity is oversimplified, particularly, because permanent charges are considered both as a source for intraprotein electric field and as a part of dielectric polarizability. Our approach overcomes this inconsistency by using two dielectric constants: optical epsilon(o)=2.5 for permanent charges pre-existing in crystal structure, and static epsilon(s) for newly formed charges. We also take into account a substantial dielectric heterogeneity of photosystem I revealed by photoelectric measurements and a liquid junction potential correction for E(m) values of relevant redox cofactors measured in aprotic solvents. We show that calculations based on a single permittivity have the discrepancy with experimental data larger than 0.7 V, whereas E(m) values calculated within our approach fall in the range of experimental estimates. The electrostatic analysis combined with quantum chemistry calculations shows that (i) the energy decrease upon chlorophyll dimerization is essential for the downhill mode of primary charge separation between the special pair P(700) and the primary acceptor A(0); (ii) the primary donor is apparently P(700) but not a pair of accessory chlorophylls; (iii) the electron transfer from the A branch quinone Q(A) to the iron-sulfur cluster F(X) is most probably downhill, whereas that from the B branch quinone Q(B) to F(X) is essentially downhill.
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