The mechanism of oxidation in chromophore maturation of wild-type green fluorescent protein: a theoretical study.

  title={The mechanism of oxidation in chromophore maturation of wild-type green fluorescent protein: a theoretical study.},
  author={Ying-ying Ma and Qiao Sun and Sean C. Smith},
  journal={Physical chemistry chemical physics : PCCP},
  volume={19 20},
Oxidation is viewed as the second and rate-limiting step in the chromophore maturation process of the wild-type green fluorescent protein (GFP) under aerobic conditions. Molecular oxygen is the necessary oxidant for GFP chromophore biosynthesis. In this study, density functional theory (DFT) calculations were employed to study the mechanism of oxidation. Our results indicate that the deprotonation of the Tyr66 α-carbon is probably the rate-limiting step in the oxidation step. Electron transfer… 

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