Hou Mingrui, Liang Chuanqi, Fei Yanan, Yang Dan, Zhang Ningjing, Lu Yujie, Wang Lei, Xing Zhiqiang, Zhao Zongpei
School of Grain Science and Technology, Jiangsu University of Science and Technology, Zhenjiang, China.
Jiahe Foods Industry Co., Ltd., Suzhou, China.
Front Bioeng Biotechnol. 2023 Feb 16;11:1142873. doi: 10.3389/fbioe.2023.1142873. eCollection 2023.
Wheat bran is the main by-product of wheat processing, containing about 30% pentosan and 0.4%-0.7% ferulic acid. Wheat bran is the main raw material used to prepare feruloyl oligosaccharides by hydrolysis of Xylanase, we discovered that the ability of Xylanase to hydrolyze wheat bran could be affected in the presence of different metal ions. In the present study, we have probed the effects of different metal ions on the hydrolysis activity of Xylanase on wheat bran and tried to analyze the effect of Mn and Xylanase by molecular dynamic (MD) simulation. Our results suggested that Mn had improved the Xylanase hydrolyzing wheat bran to obtain feruloyl oligosaccharides. Particularly when the concentration of Mn reached 4 mmol/L, the optimal product has been obtained 2.8 times higher to compare with no addition. Through the MD simulation analysis, our results reveal that Mn can induce structural change in the active site, which enlarges the substrate binding pocket. The simulation results also revealed that the addition of Mn resulted in a low RMSD value compared with the absence of Mn and helped stabilize the complex. Mn could increase the enzymatic activity of Xylanase in the hydrolysis of feruloyl oligosaccharides in wheat bran. The finding could have significant implications for the preparation of feruloyl oligosaccharides from wheat bran.
麦麸是小麦加工的主要副产品，含有约30%的戊聚糖和0.4%-0.7%的阿魏酸。麦麸是通过木聚糖酶水解制备阿魏酰低聚糖的主要原料，我们发现不同金属离子的存在会影响木聚糖酶水解麦麸的能力。在本研究中，我们探究了不同金属离子对木聚糖酶水解麦麸活性的影响，并尝试通过分子动力学（MD）模拟分析锰和木聚糖酶的作用。我们的结果表明，锰提高了木聚糖酶水解麦麸以获得阿魏酰低聚糖的能力。特别是当锰的浓度达到4 mmol/L时，获得的最佳产物比不添加时高出2.8倍。通过MD模拟分析，我们的结果表明，锰可以诱导活性位点的结构变化，从而扩大底物结合口袋。模拟结果还表明，与不添加锰相比，添加锰导致较低的均方根偏差（RMSD）值，并有助于稳定复合物。锰可以提高木聚糖酶在麦麸水解阿魏酰低聚糖中的酶活性。这一发现可能对从麦麸制备阿魏酰低聚糖具有重要意义。
