Molecular Mechanism of Spectral Tuning by Chloride Binding in Monkey Green Sensitive Visual Pigment
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Abstract
The visual pigments of the cones perceive red, green, and blue colors. The monkey green (MG) pigment possesses a unique Cl− binding site; however, its relationship to the spectral tuning in green pigments remains elusive. Recently, FTIR spectroscopy revealed the characteristic structural modifications of the retinal binding site by Cl− binding. Herein, we report the computational structural modeling of MG pigments and quantum-chemical simulation to investigate its spectral redshift and physicochemical relevance when Cl− is present. Our protein structures reflect the previously suggested structural changes. AlphaFold2 failed to predict these structural changes. Excited-state calculations successfully reproduced the experimental red-shifted absorption energies, corroborating our protein structures. Electrostatic energy decomposition revealed that the redshift results from the His197 protonation state and conformations of Glu129, Ser202, and Ala308; however, Cl− itself contributes to the blueshift. Site-directed mutagenesis supported our analysis. These modeled structures may provide a valuable foundation for studying cone pigments.
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Self-citation
- Authors
- Fujimoto, K. J., Minowa, F., Nishina, M., Nakamura, S., Ohashi, S., Katayama, K., Kandori, H., & Yanai, T.
- Affiliations
- Institute of Transformative Bio-Molecules (JP)
- Nagoya University (JP)
- Nagoya Institute of Technology (JP)
- Corresponding author
- Fujimoto, Kazuhiro J.
- Kandori, Hideki
- Venue
- The Journal of Physical Chemistry Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2023-02-10
- Volume
- 14
- Issue
- 7
- Pages
- 1784-1793
- ISSN
- 1948-7185 (ISSN-L)
- OpenAlex
- W4319812274
- Cited by
- 5
- References
- 56
- Citations by year
- 2026: 1 · 2024: 4
- FWCI
- 0.61
- Type
- journal article
- Language
- en
- Open access
- green
- doi.org
- Licence
- Locations
- The Journal of Physical Chemistry Letters (publishedVersion)
- ChemRxiv (acceptedVersion, cc-by-nc-nd)
- PubMed (publishedVersion)
- Institutional Repositories DataBase (IRDB) (acceptedVersion)
- Nagoya University Repository (NAGOYA Repository) (submittedVersion, cc-by-nc-nd)
- Funders
- Core Research for Evolutional Science and Technology (JPMJCR21O5)
- Precursory Research for Embryonic Science and Technology (JPMJPR19G4)
- Japan Society for the Promotion of Science (18K14662, 20H05440, 20K05430, 21H01881, 21H04969, 21K18931)
- Topics
- Life Sciences › Neuroscience › Cellular and Molecular Neuroscience › Photoreceptor and optogenetics research
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Receptor Mechanisms and Signaling
- Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Photochemistry and Electron Transfer Studies
- Keywords
- visual pigments, chloride binding, spectral tuning, spectroscopic redshifts, retinal binding site, cone pigments, excited-state absorption, site-directed mutagenesis, protein structure modeling, color vision
- MeSH terms
- Chlorides, Retina, Retinal Pigments, Spectroscopy, Fourier Transform Infrared
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