Rational engineering design with computer-aided surface charge modulation of highly alkali-stable xylanase for...

The degumming process is vital for eco-friendly textile production, with β-1,4-endo-xylanase serving as the key hydrolase responsible for xylan degradation during this procedure. However, its limited resistance to alkali hampers the application due to reduced activity in alkaline environments. Herein, we employed the strategies for computer-aid high surface charged, to enhance resistance and activity of xylanase, generating the optimal mutant (Q130K/E195K) of 79 mutants, with improved 9.40 -fold (310.06 min) pH half-life and increased 2.55 -fold activity (714.54 U. mg^-1) by WT (wild type). Moreover, molecular dynamics analysisy that positive changes in intermolecular interactions and surface charge for the improved catalytic activity of the best variant. Furthermore, treated with the optimal mutant for degumming, the fibers have less stickiness, better dispersion, and improved properties like strength, whiteness, and hydrophilicity. These finding expected provide theoretical guidance for the potential application of high-performance xylanase in green industry.