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Color Tuning in Human Cone Visual Pigments: The Role of the Protein Environment

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Quantum Systems in Chemistry and Physics

Part of the book series: Progress in Theoretical Chemistry and Physics ((PTCP,volume 26))

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Abstract

The origin of color tuning in human cone visual pigments was investigated. Hybrid quantum mechanics (QM)/molecular mechanics (MM) calculations were performed using symmetry-adapted cluster-configuration interaction (SAC-CI) for the QM region and AMBER force field for the MM region. In particular, we focused on the QM effects of environmental protein and performed QM(SAC-CI:CIS)/MM(AMBER) calculations with a large QM region. The results of these calculations showed that the environmental QM effects on the relative excitation energy are not significant and confirmed the importance of the electrostatic (ES) interactions noted in our previous study (Fujimoto et al., Bull Chem Soc Jpn, 82:1140, 2009). The biological origin of color tuning was also investigated, and the important amino acid sequences were elucidated. The results provide useful information for understanding the relationship between molecular evolution and the changes in the absorption spectra of vertebrate visual pigments.

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Acknowledgments

This study was supported by KAKENHI (No. 21685002 and No. 23108709) from the Japan Society for the Promotion of Science (JSPS) and by JST-CREST. This study was also financially supported by the Strategic Program for Innovative Research (SPIRE), MEXT, and the Computational Materials Science Initiative (CMSI), Japan. Part of the computations were performed at RCCS (Okazaki, Japan) and ACCMS (Kyoto University).

Author information

Authors and Affiliations

  1. Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano-Nishihiraki-cho, Sakyo-ku, Kyoto, 606-8103, Japan

    Jun-ya Hasegawa

  2. Department of Synthetic Chemistry and Biological Chemistry, Kyoto University, Kyoto-Daigaku-Katsura, Nishikyo-ku, Kyoto, 615-8510, Japan

    Jun-ya Hasegawa

  3. Department of Computational Science, Graduate School of System Informatics, Kobe University, 1-1, Rokkodai, Nada, Kobe, 657-8501, Japan

    Kazuhiro J. Fujimoto

  4. Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, Aoba-ku, Sendai, Japan

    Hiroshi Nakatsuji

  5. Quantum Chemical Research Institute (QCRI), Kyoto, Japan

    Hiroshi Nakatsuji

Authors
  1. Jun-ya Hasegawa
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  2. Kazuhiro J. Fujimoto
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  3. Hiroshi Nakatsuji
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Corresponding author

Correspondence to Jun-ya Hasegawa .

Editor information

Editors and Affiliations

  1. , Division of Mathem. and Physical Science, Kanazawa University, Kanazawa, 920-1192, Japan

    Kiyoshi Nishikawa

  2. Laboratoire de Chimie Physique, rue Pierre et Marie Curie 11, Paris, 75005, France

    Jean Maruani

  3. Dept. Quantum Chemistry, Uppsala University, Uppsala, Sweden

    Erkki J. Brändas

  4. Inst. Matemáticas y Física, Fundamental (IMAFF), CSIC Madrid, C/ Serrano 123, Madrid, 28006, Spain

    Gerardo Delgado-Barrio

  5. Dept. Chemistry, Michigan State University, Chemistry Building, East Lansing, 48824, Michigan, USA

    Piotr Piecuch

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© 2012 Springer Science+Business Media Dordrecht

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Hasegawa, Jy., Fujimoto, K.J., Nakatsuji, H. (2012). Color Tuning in Human Cone Visual Pigments: The Role of the Protein Environment. In: Nishikawa, K., Maruani, J., Brändas, E., Delgado-Barrio, G., Piecuch, P. (eds) Quantum Systems in Chemistry and Physics. Progress in Theoretical Chemistry and Physics, vol 26. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-5297-9_28

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