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Calculation of pigment transition energies in the FMO protein
- Source :
- Photosynthesis Research. 95:197-209
- Publication Year :
- 2007
- Publisher :
- Springer Science and Business Media LLC, 2007.
-
Abstract
- The Fenna-Matthews-Olson (FMO) protein of green sulfur bacteria represents an important model protein for the study of elementary pigment-protein couplings. We have previously used a simple approach [Adolphs and Renger (2006) Biophys J 91:2778-2797] to study the shift in local transition energies (site energies) of the FMO protein of Prosthecochloris aestuarii by charged amino acid residues, assuming a standard protonation pattern of the titratable groups. Recently, we have found strong evidence that besides the charged amino acids also the neutral charge density of the protein is important, by applying a combined quantum chemical/electrostatic approach [Müh et al. (2007) Proc Natl Acad Sci USA, in press]. Here, we extract the essential parts from this sophisticated method to obtain a relatively simple method again. It is shown that the main contribution to the site energy shifts is due to charge density coupling (CDC) between the pigments and their pigment, protein and water surroundings and that polarization effects for qualitative considerations can be approximated by screening the Coulomb coupling by an effective dielectric constant.
- Subjects :
- media_common.quotation_subject
Light-Harvesting Protein Complexes
Protonation
Plant Science
Dielectric
Photosynthesis
Models, Biological
Biochemistry
Chlorobi
Pigment
Bacterial Proteins
Computational chemistry
Coulomb
Simplicity
Fenna-Matthews-Olson complex
media_common
Coupling
chemistry.chemical_classification
Fourier Analysis
biology
Chemistry
Spectrum Analysis
Charge density
Pigments, Biological
Cell Biology
General Medicine
biology.organism_classification
Amino acid
Chemical physics
visual_art
Green sulfur bacteria
visual_art.visual_art_medium
Subjects
Details
- ISSN :
- 15735079 and 01668595
- Volume :
- 95
- Database :
- OpenAIRE
- Journal :
- Photosynthesis Research
- Accession number :
- edsair.doi.dedup.....286057cfb857460a39e09788a227d9e9
- Full Text :
- https://doi.org/10.1007/s11120-007-9248-z