Difference between revisions of "Part:BBa K5366019"

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TET

Sequences from the source of Candidatus Aerophobetes bacterium with tagatose-4-epimerase activity

In the present study, an unknown functional protein from Candidatus Aerophobetes bacterium, exhibiting Tagatose-4-epimerase activity, was identified through gene mining and designated as TET.

The binding free energy of the receptor-ligand complex was calculated using a CHARMm-based energy functional along with implicit solvent methods. These free energies were estimated by minimizing the ligand energy in the presence of the receptor, employing both the steepest descent and conjugate gradient methods. Instead of utilizing the more costly molecular surface approximation, the effective Born radius was calculated using the Generalized Born Simple Switching (GBSW) implicit solvent model. This model features smooth dielectric boundaries that incorporate van der Waals surfaces. Using this approach, we calculated the free energy of binding between TET and fructose (Fig. 1).

Fig. 1 Free energy of binding between TET and fructose