Charge Transfer at the Qo-Site of the Cytochrome bc1 Complex Leads to Superoxide Production
Abstract
The cytochrome bc 1 complex is the third protein complex in the electron transport chain of mitochondria or photosynthetic bacteria, and it serves to create an electrochemical gradient across a cellular membrane, which is used to drive ATP synthesis. The purpose of this study is to investigate interactions involving an occasionally trapped oxygen molecule (O 2 ) at the so-called Q o site of the bc 1 complex, which is one of the central active sites of the protein complex, where redox reactions are expected to occur. The investigation focuses on revealing the possibility of the oxygen molecule to influence the normal operation of the bc 1 complex and acquire an extra electron, thus becoming superoxide, a biologically toxic free radical. The process is modeled by applying quantum chemical calculations to previously performed classical molecular dynamics simulations. Investigations reveal several spontaneous charge transfer modes from amino acid residues and cofactors at the Q o -site to the trapped O 2 molecule.
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It seems unlikely that coherence in biological systems extends beyond picoseconds for photosynthesis and milliseconds for the radical pair mechanism.
“While research suggests that long-lived coherence in photosynthetic systems lasts for picoseconds 194 and the lifetime of the radical pair mechanism is discussed in terms of milliseconds 161 , it seems unlikely that coherence in biological systems extends beyond these timescales.”
From Quantum effects in the brain: A review (2020) · cites this paper as [161]
A leading theory of bird migration suggests that birds utilise the earth's magnetic field as a guiding tool by means of the radical pair mechanism.
“A leading theory of bird migration suggests that birds utilise the earth's magnetic field as a guiding tool by means of the radical pair mechanism [159][160][161] .”
From Quantum effects in the brain: A review (2020) · cites this paper as [161]
Theoretical research, backed by spectroscopic evidence, suggests that light activated electron transport occurs between flavin adenine dinucleotide (FAD) and tryptophan residues.
“Theoretical research, backed by spectroscopic evidence, suggests that light activated electron transport occurs between flavin adenine dinucleotide (FAD) and tryptophan residues 161 .”
From Quantum effects in the brain: A review (2020) · cites this paper as [161]
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References 46 · Cited by 21
Research works printed but not linked: 1
- Frisch M. J., 2009, Gaussian 09 Revision E.01
- Authors
- Salo, A. B., Husen, P., & Solov’yov, I. A.
- Affiliations
- University of Southern Denmark (DK)
- Corresponding author
- Solov’yov, Ilia A.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2016-12-16
- Volume
- 121
- Issue
- 8
- Pages
- 1771-1782
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2557879035
- Cited by
- 21
- References
- 46
- Citations by year
- 2026: 2 · 2025: 1 · 2024: 1 · 2023: 4 · 2022: 3 · 2021: 1 · 2020: 1 · 2019: 3 · 2018: 3 · 2016: 2
- FWCI
- 1.39
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- The Journal of Physical Chemistry B (publishedVersion)
- PubMed (publishedVersion)
- University of Southern Denmark Research Portal (University of Southern Denmark) (publishedVersion)
- Funders
- Russian Science Foundation (14-12-00342)
- Lundbeckfonden
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Photosynthetic Processes and Mechanisms
- Physical Sciences › Chemistry › Inorganic Chemistry › Metal-Catalyzed Oxygenation Mechanisms
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Mitochondrial Function and Pathology
- Keywords
- cytochrome bc1 complex, Qo site, superoxide production, oxygen trapping, charge transfer, electron transport chain, mitochondrial electron transport chain, photosynthetic bacteria, redox reactions, free radicals, cofactors, amino acid residues, quantum chemical calculations, molecular dynamics simulation
- MeSH terms
- Binding Sites, Electron Transport, Oxygen, Protein Binding, Superoxides, Thermodynamics, Electron Transport Complex III, Rhodobacter capsulatus, Catalytic Domain, Molecular Dynamics Simulation
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