Molecular Modeling and Assessing the Catalytic Activity of Glucose Dehydrogenase of Gluconobacter suboxydans with a New Approach for Power Generation in a Microbial Fuel Cell

Microbial fuel cells are electrochemical energy systems that transform the organic substrates for bioelectricity generation using the immense catalytic potential of the electrigens. Quinoprotein glucose dehydrogenase of Gluconobacter plays a key role in the oxidation of glucose in MFC’s. The structure of the Quinoprotein glucose dehydrogenase of Gluconobacter suboxydans is still unexplored. Herein, the modeled structure of Quinoprotein glucose dehydrogenase of Gluconobacter suboxydans is reported. The modeled structure is validated with the Ramachandran plot analysis. The active sites of the modeled protein are identified using the Q site finder. The catalytic activity of the modeled glucose dehydrogenase of G. suboxydans is analyzed based on its binding energy with the substrate. The experimental results show that the modeled structure has excellent stereochemical and electrocatalytic activity. The good electrocatalytic activity of glucose dehydrogenase offers higher electrogenic activity to Gluconobacter for its use as electrigens in MFC’s.