An acid-stable β-glucosidase from Aspergillus aculeatus: Gene expression, biochemical characterization and molecular dynamics simulation.
作者： Yu Li , Xiaoyan Hu , Jingcheng Sang , Ying Zhang , Huitu Zhang
DOI: 10.1016/J.IJBIOMAC.2018.07.165
关键词:
摘要: Abstract β-Glucosidases hydrolyze terminal, non-reducing β- d -glucosyl residues and thereby release -glucose. They have applications in the production of biofuels, beverages pharmaceuticals. In this study, a β-glucosidase derived from Aspergillus aculeatus (BGLA) was expressed, characterized, molecular mechanism its acid denaturation comprehensively probed. BGLA exhibited maximal activity at pH 5.0–6.0. Its optimal temperature 70 °C. enzyme enhanced by Mg2+, Ca2+ Ba2+, while Cu2+, Mn2+, Zn2+, Fe2+ Fe3+ had negative effect. showed on broad range substrates including salicin, cellobiose, arbutin, geniposide polydatin. Finally, acid-denaturation probed using dynamics (MD) simulations. The results simulation pH 2.0 imply that contact number, solvent accessible surface area number hydrogen bonds decreased greatly. Moreover, distance between Asp280 Glu509 are part active site increased, which eventually destroyed enzyme's catalytic activity. These MD explain BGLA, will greatly benefit rational design more acid-stable variants future.
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