QM/MM and MD Studies of the First Proton Transfer for O2 Activation in the Catalytic Cycle of Cytoch

来源 :结构化学 | 被引量 : 0次 | 上传用户：fawudai111111

【摘要】

：

P450cin (CYP176A1) isolated from Citrobacter braakii is a biodegradation enzyme that catalyzes the enantiospecific conversion of 1,8-cineole to (1R)-6β-hydroxy

【作者】

：

刘凤娇宋金帅卢倩倩魏婧张敏熠黄靖李春森

【机构】

：

StateKeyLaboratoryofStructuralChemistry,UniversityofChineseAcademyofSciences,FujianProvincialKeyLabo

【出处】

：

结构化学

【发表日期】

：

2018年12期

【关键词】

：

P450cin CYP176A1 QM/MM PROTON transfer

【基金项目】

：

the National Natural Science Foundation of China (No.21573237,21603227,21403242,21703246),the Natural Science Foundation of Fujian Province (2017J05032).

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P450cin (CYP176A1) isolated from Citrobacter braakii is a biodegradation enzyme that catalyzes the enantiospecific conversion of 1,8-cineole to (1R)-6β-hydroxycineole.In many P450 family members the mechanism of proton delivery for O2 activation is propos

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QM/MM and MD Studies of the First Proton Transfer for O2 Activation in the Catalytic Cycle of Cytoch

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