来自Morus alba的BBE类酶中的酸残留物促进了从氧化循环转化到脱的功能转变
Nianxin Guo1,2,3, Jun Gu4, Qingyang Zhou5
1Peking-Tsinghua Center for Life Sciences, Peking University, Beijing 100871, China.
概括
柏柏林桥梁酶 (BBE) 类似的酶
科学领域:
- 生物化学 生物化学
- 自然产品生物合成 自然产品生物合成
- 酶学 是一种酶学.
背景情况:
- 柏柏林桥酶 (BBE) 类酶对于天然产品的生物合成至关重要.
- 控制它们的反应选择性的分子机制尚未完全理解.
研究的目的:
- 阐明来自Morus alba的BBE类氧化酶的催化机制.
- 了解摩拉C的氧化循环和脱过程中的选择性.
主要方法:
- 一种与黄氨酸二核酸 (FAD) 结合的氧化酶 (MaDS1) 的X射线晶体学.
- 结构引导的突变发生和序列分析.
- 密度函数理论 (DFT) 和分子动力学 (MD) 模拟.
主要成果:
- 确定了带有产品和没有产品的 MaDS1 的晶体结构.
- 确定了一种保存的酸残留物,对于指导反应途径至关重要.
- DFT和MD模拟揭示了酸在去质子化中间体中的作用.
结论:
- 保存的酸残留物决定了BBE类氧化酶的反应途径.
- 这种残留物起到催化基的作用,有利于脱而不是循环.
- 这些发现为自然产品生物合成提供了机制性的见解.
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