碳水化合物-蛋白质相互作用驱动过程性多糖体转位在酶的计算研究揭示了细胞核酸酶的过程性
Brandon C Knott1, Michael F Crowley, Michael E Himmel
1National Bioenergy Center and ‡Biosciences Center, National Renewable Energy Laboratory , Golden, Colorado 80401, United States.
Journal of the American Chemical Society
|May 30, 2014
概括
酶性纤维素降解涉及一个两步链线机制,以水解,而不是链转位,作为速度限制的步骤. 特定的蛋白质相互作用通过葡萄糖酸酶驱动多糖体的运动.
科学领域:
- 生物化学 生物化学
- 结构生物学 结构生物学
- 酶学 是一种酶学.
背景情况:
- 通过蛋白质道的多糖转移在像甘酸酸酶这样的酶中至关重要.
- 之前的研究集中在静态结合上,不清楚多糖链过程性的分子细节.
研究的目的:
- 调查在糖化酸酸酶家族7的过程循环期间纤维素链转位的分子机制. cellobiohydrolase.
- 阐明蛋白质-碳水化合物相互作用在多糖链运动和酶催化中的作用.
主要方法:
- 用分子动力学模拟来检查纤维素链转位.
- 对链线和水解的自由能源障碍的分析.
- 研究了酶活性部位内的静电和芳香碳水化合物相互作用.
主要成果:
- 确定了一个连锁线索形成迈凯利斯复合体的两步机制.
- 链接线索的自由能量屏障比水解屏障要低得多.
- 与保存的极性残留物之间的静电相互作用驱动转位,而芳香残留物指导链.
结论:
- 酶性纤维素降解受到糖化反应的限制,而不是连锁过程性.
- 特定的保存残留物和芳香相互作用对于糖化酸酸酶中的过程转位至关重要.
- 这项研究阐明了碳水化合物活性酶的常见动机,促进了多糖化合物的合成和降解.
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