远程高pH质子通道促进了含铜的酸降解酶中酸的减少
Xin Qin1, Li Li2, Qiulan Zhou1
1Hunan Provincial Key Laboratory of the Traditional Chinese Medicine Agricultural Biogenomics, Hunan Provincial University Key Laboratory of the Fundamental and Clinical Research on Functional Nucleic Acid, the First Affiliated Hospital, Changsha Medical University, Changsha 410219, P. R. China.
ACS omega
|November 10, 2025
概括
含铜的酸盐还原酶 (CuNiR) 使用不同的质子通路进行酸盐转化. 高pH通道是生物脱化中限制速度的第二个质子化步骤的首选.
科学领域:
- 生物化学 生物化学
- 酶学 是一种酶学.
- 生物能源学 生物能源学
背景情况:
- 含铜的酸盐还原酶 (CuNiR) 对于生物脱至关重要.
- 尼尔催化酸盐 (NO2-) 到氧化 (NO) 的转化.
- 质子 (PT) 和电子转移 (ET) 机制,特别是在亚酸盐质子化过程中,尚未完全理解.
研究的目的:
- 研究CuNiR的详细生物能量机制.
- 在化物转换过程中阐明质子和电子转移途径.
- 在CuNiR中确定速度限制步骤和首选的催化途径.
主要方法:
- 采用了双层ONIOM计算方法.
- 分析了不同的质子和电子转移途径.
- 进行了催化步骤的比较能量分析.
主要成果:
- 揭示了高pH和主要通道的独特PT和ET通道.
- 在高pH通道中确定了水介导的三阶段PT和质子合β-ET.
- 显示NO2的第二次质子化是限制速度的步骤,优先选择高pH通道.
结论:
- 高pH通道是CuNiR催化的首选途径.
- 的基本机制提升了对生物脱的理解.
- 在金属酶中的解质子合电子转移机制.
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