通过结构和分子动力学预测,对牛奶γ-glutamyl转移酶基质选择性的新见解
Lichuang Cao1, Cameron J Hunt2, Anne S Meyer2
1Department of Food Science, Faculty of Science, University of Copenhagen, 1958 Frederiksberg C, Denmark.
Molecules (Basel, Switzerland)
|June 28, 2023
概括
牛奶γ-胺转移酶 (BoGGT) 显示了基质偏好. 分子模拟揭示了关键氨基酸,捐赠者Ser450和接受者Gly379,Ile399,Asn400,影响酶活性和生成.
科学领域:
- 生物化学 生化学
- 酶学 是一种酶学.
- 分子生物学分子生物学
背景情况:
- 牛奶γ-胺转移酶 (BoGGT) 通过使用L-胺来催化合成.
- 酶活性受到g-glutamyl捐赠者和接受者的显著影响.
研究的目的:
- 阐明BoGGT对捐赠者和接受者的基质偏好背后的分子机制.
- 为了确定参与基质结合和催化过程的关键氨基酸残留物.
主要方法:
- 使用了分子对接和分子动态模拟.
- 使用L-氨酸和L-γ-glutamyl-p-nitroanilide (γ-GpN A) 作为捐赠基质.
- 分析了与像Val-Gly这样的受体基质的相互作用.
主要成果:
- 鉴定Ser450是BoGGT-捐赠者相互作用的关键残留物,由于更多的键,对L-谷氨胺的亲和力更高.
- Gly379,Ile399和Asn400对于BoGGT中间体-受体相互作用至关重要.
- 在BoGGT中间体和Val-Gly之间增强的结促进了g-glutamyl组的转移.
结论:
- 这项研究确定了控制BoGGT的供体和接受体相互作用的关键残留物.
- 提供了关于g-glutamyltransferase的基质选择性和催化机制的新见解.
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