Keywords
chromophore resonance forms
ellipticity of electron density
green fluorescent proteins
natural resonance theory
quantum chemical calculations
red fluorescent proteins
Abstract
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.
Funders
Russian Science Foundation
19-73-20032
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