A1 Journal article (refereed)
Photoactive Yellow Protein Chromophore Photoisomerizes around a Single Bond if the Double Bond Is Locked (2020)

Mustalahti, S., Morozov, D., Luk, H. L., Pallerla, R. R., Myllyperkiö, P., Pettersson, M., Pihko, P. M., & Groenhof, G. (2020). Photoactive Yellow Protein Chromophore Photoisomerizes around a Single Bond if the Double Bond Is Locked. Journal of Physical Chemistry Letters, 11(6), 2177-2181. https://doi.org/10.1021/acs.jpclett.0c00060

JYU authors or editors

Publication details

All authors or editors: Mustalahti, Satu; Morozov, Dmitry; Luk, Hoi Ling; Pallerla, Rajanish R.; Myllyperkiö, Pasi; Pettersson, Mika; Pihko, Petri M.; Groenhof, Gerrit

Journal or series: Journal of Physical Chemistry Letters

eISSN: 1948-7185

Publication year: 2020

Volume: 11

Issue number: 6

Pages range: 2177-2181

Publisher: American Chemical Society

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1021/acs.jpclett.0c00060

Publication open access: Openly available

Publication channel open access: Partially open access channel

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/68018


Photoactivation in the Photoactive Yellow Protein, a bacterial blue light photoreceptor, proceeds via photo-isomerization of the double C=C bond in the covalently attached chromophore. Quantum chemistry calculations, however, have suggested that in addition to double bond photo-isomerization, the isolated chromophore and many of its analogues, can isomerize around a single C-C bond as well. Whereas double bond photo-isomerization has been observed with x-ray crystallography, experimental evidence for single bond photo-isomerization is currently lacking. Therefore, we have synthesized a chromophore analogue, in which the formal double bond is covalently locked in a cyclopentenone ring and carried out transient absorption spectroscopy experiments in combination with non-adiabatic molecular dynamics simulations to reveal that the locked chromophore isomerizes around the single bond upon photo-activation. Our work thus provides experimental evidence for single bond photo-isomerization in a photoactive yellow protein chromophore analogue and suggests that photo-isomerization is not restricted to the double bonds in conjugated systems. This insight may be useful for designing light-driven molecular switches or motors.

Keywords: photochemistry; chemical bonds; proteins; isomerism

Free keywords: photoactivation; photo-isomerization; photoactive yellow protein; single bond; double bond

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Ministry reporting: Yes

Reporting Year: 2020

JUFO rating: 3

Last updated on 2023-03-10 at 15:04