Improved Enzymatic Properties of Chitosanase CsnMY002 from <i>Bacillus subtilis</i> via Computational Design.

ABSTRACT: Chitooligosaccharides (COSs) are a class of functional carbohydrates with significant application prospects in food and medicine. Chitosanase CsnMY002 from the GH46 family has been used to prepare COS with controlled degrees of polymerization. To enhance the industrial applicability of CsnMY002, molecular dynamics (MD) simulations were applied to investigate the structure-property relationship. Guided by the simulation results, the beneficial mutants were screened through a synergistic strategy using a residue-folding free energy calculation and consensus sequence analysis. Iterative combinations constructed the mutant Mut6 (A49G/K70A/S84A/N89G/D199R/N221G) with significantly improved thermal stability, which had a half-life (t_1/2 value) at 55 °C and 75 °C that was 1.80 a

SUBMITTER: Xie J 

PROVIDER: S-EPMC11855910 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature