Effect of Protein Conformation and AMP Protonation State on Fireflies' Bioluminescent Emission.

ABSTRACT: The emitted color in fireflies' bioluminescent systems depends on the beetle species the system is extracted from and on different external factors (pH, temperature…) among others. Controlling the energy of the emitted light (i.e., color) is of crucial interest for the use of such bioluminescent systems. For instance, in the biomedical field, red emitted light is desirable because of its larger tissue penetration and lower energies. In order to investigate the influence of the protein environment and the AMP protonation state on the emitted color, the emission spectra of the phenolate-keto and phenolate-enol oxyluciferin forms have been simulated by means of MD simulations and QM/MM calculations, considering: two different protein conformations (with an open or closed C-terminal domain wit

SUBMITTER: Garcia-Iriepa C 

PROVIDER: S-EPMC6514813 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature