Molecular understanding of enzyme and ionic liquid interactions provide a general protein engineering strategy for their sustainable biocatalytic applications

19/06/2019
 

Congratulations to Subrata Pramanik on his recent Publication!

  Comparative surface distribution of ionic liquid ions and water molecules on the surface of Bacillus subtilis lipase A. Copyright: © ACS Sustainable Chem. Eng. Comparative surface distribution of ionic liquid ions and water molecules on the surface of Bacillus subtilis lipase A.

In this publication, interactions between Bacillus subtilis lipase A (BSLA) and four imidazolium-based ionic liquids were studied using molecular dynamic simulations. This study provides first insight that ionic liquids co-solvents do not alter the overall and local BSLA conformation. The effect on the reduction of activity was attributed to surface interactions of the ionic liquid cations, which removed essential water molecules from the BSLA surface.

A general protein engineering strategy was suggested through molecular understanding of enzyme and ionic liquid interactions based on computational study.

Furthermore, the comparison of simulation results with experimental full site-saturation mutagenesis BSLA libraries confirmed that most of beneficial positions for resistance improvement are located at the ionic liquid cations binding regions. Taken together, these findings suggest that surface charge engineering might be a general protein engineering strategy to improve BSLA resistance in ionic liquids and is most likely applicable to other lipases and α/β-hydrolases.

Pramanik S., Dhoke G. V., Jaeger KE., Schwaneberg U., Davari MD. ACS Sustainable Chem. Eng., 2019, https://doi.org/10.1021/acssuschemeng.9b00752 shared co-authorship

This work was realized in the division of Computational Biology and was supported by computing resources granted by JARA-HPC from RWTH Aachen University (JARA0187).

  Subrata Pramanik Copyright: © BIO VI Subrata Pramanik.