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利用蛋白质语言模型,以基于结构的发现高效和强大的PET水解酶

Banghao Wu^1,2,3, Bozitao Zhong^1,2, Lirong Zheng^4,5

¹School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, China.

Nature communications

|July 5, 2025

概括

研究人员使用AI发现了新的塑料降解酶. 一种新型酶KbPETase显示出优越的性能和稳定性,用于聚乙烯二甲 (PET) 的生物降解.

科学领域:

生物技术是生物技术.
环境科学环境科学
蛋白质工程是指蛋白质的工程.

背景情况:

塑料废弃物,特别是聚乙烯四甲酸盐 (PET),带来了环境挑战.
目前的PET水解酶 (PETases) 的多样性和性能有限.
酶生物降解为PET废物提供了一个可持续的解决方案.

研究的目的:

开发一种新的计算方法,用于发现多样化和高性能PETAases.
确定具有增强生物降解能力和热稳定性的新型PET水解酶.
通过生物化学和结构分析验证新发现的PETases的性能.

主要方法:

集成的蛋白质语言模型 (PLMs) 与蛋白质发现的表示树 (VenusMine管道).
利用与IsPETase的结构相似性来识别和聚类候选蛋白质.
采用基于PLM的评估来进行溶解性和热稳定性选.
进行生物化学分析,X射线晶体学和分子动力学模拟以验证.

主要成果:

维纳斯Mine管道确定了34个候选蛋白质进行验证.
14个候选品在30-60°C之间显示出PET降解活性.
来自Kibdelagangium banguiense (KbPETase) 的一种新型PET酶表现出比IsPETase.更高的32°C的化温度 (Tm).
与FastPETase和LCC等现有酶相比,KbPETase显示出更高的PET降解活性和催化效率.
结构分析显示了增强的分子内相互作用,有助于KbPETase的稳定性和功能.

结论:

维纳斯Mine管道有效地发现了具有增强性质的天然PETAase.
KbPETase 是一种有前途的候选物,可以有效和热稳定地使PET生物降解.
深度学习方法可以显著推进环境应用酶的发现.

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