ArticleJournal of the American Chemical Society2012
Color Tuning in rhodopsins: the origin of the spectral shift between the chloride-bound and anion-free forms of halorhodopsin.
Article in Journal of the American Chemical Society, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 38 citations in OpenAlex.
- Semirational Protein Engineering Yields Archaerhodopsin-3-Based Fluorescent Genetically Encoded Voltage Indicators with Enhanced Brightness and Red Shifted Absorption Bands.Chem & bio engineering · 2025Article
- Rhodopsin charge diffusion computations disclose contrasting color-tuning mechanisms.Nature communications · 2025Article
- Rational Design of Far-Red Archaerhodopsin-3-Based Fluorescent Genetically Encoded Voltage Indicators: from Elucidation of the Fluorescence Mechanism in Archers to Novel Red-Shifted Variants.ACS physical chemistry Au · 2024Article
- Fluorescence of the Retinal Chromophore in Microbial and Animal Rhodopsins.International journal of molecular sciences · 2023Review
- Fluorescence Imaging of Cell Membrane Potential: From Relative Changes to Absolute Values.International journal of molecular sciences · 2023Review
- Azobenzene/Tetraethyl Ammonium Photochromic Potassium Channel Blockers: Scope and Limitations for Design of Para-Substituted Derivatives with Specific Absorption Band Maxima and Thermal Isomerization Rate.International journal of molecular sciences · 2021Article
- Simple Models to Study Spectral Properties of Microbial and Animal Rhodopsins: Evaluation of the Electrostatic Effect of Charged and Polar Residues on the First Absorption Band Maxima.International journal of molecular sciences · 2021Article
- Electronic Couplings and Electrostatic Interactions Behind the Light Absorption of Retinal Proteins.Frontiers in molecular biosciences · 2021Review
- Quantum Mechanical and Molecular Mechanics Modeling of Membrane-Embedded Rhodopsins.The Journal of membrane biology · 2019Review
- A Comparative Study of Modern Homology Modeling Algorithms for Rhodopsin Structure Prediction.ACS omega · 2018Article
- A voltage-dependent fluorescent indicator for optogenetic applications, archaerhodopsin-3: Structure and optical properties fromF1000Research · 2017Article
- Molecular bases for the selection of the chromophore of animal rhodopsins.Proceedings of the National Academy of Sciences of the United States of America · 2015Article
- Microbial and animal rhodopsins: structures, functions, and molecular mechanisms.Chemical reviews · 2014Review
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3 authors at 3 institutions in 3 countries.
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Abstract
Detailed knowledge of the molecular mechanisms that control the spectral properties in the rhodopsin protein family is important for understanding the functions of these photoreceptors and for the rational design of artificial photosensitive proteins. Here we used a high-level ab initio QM/MM method to investigate the mechanism of spectral tuning in the chloride-bound and anion-free forms of halorhodopsin from Natronobacterium pharaonis (phR) and the interprotein spectral shift between them. We demonstrate that the chloride ion tunes the spectral properties of phR via two distinct mechanisms: (i) electrostatic interaction with the chromophore, which results in a 95 nm difference between the absorption maxima of the two forms, and (ii) induction of a structural reorganization in the protein, which changes the positions of charged and polar residues and reduces this difference to 29 nm. The present study expands our knowledge concerning the role of the reorganization of the internal H-bond network for color tuning in general and provides a detailed investigation of the tuning mechanism in phR in particular.
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