Communications

Efficiency of green-to-red chromophore conversion for AzamiGreen-derived fluorescent proteins

V. B. Krapivin^ab, R. A. Stepanyuk^ac, M. G. Khrenova<sup>ac

a</sup> Department of Chemistry, M. V. Lomonosov Moscow State University, 119991 Moscow, Russian Federation
^b Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry, Russian Academy of Sciences, 142432 Chernogolovka, Moscow Region, Russian Federation
^c N. M. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, 119334 Moscow, Russian Federation

Аннотация: QM/MM calculations were performed to determine the energy differences between the green and red states of AzamiGreen fluorescent protein variants. The contributions of the resonance P- and I-forms of the chromophore were analyzed for a series of five proteins. A relationship was demonstrated between the contribution of the phenolate anionic form and the stabilization of the red state of the chromophore.

Ключевые слова: green fluorescent proteins, red fluorescent proteins, quantum chemical calculations, chromophore resonance forms, natural resonance theory, ellipticity of electron density.

Поступила в редакцию: 10.07.2025
Принята в печать: 25.09.2025

Язык публикации: английский

DOI: 10.71267/mencom.7869