冯淳淞,梁释介,罗永康,谭雨青,洪惠

• 1:中国农业大学食品科学与营养工程学院
• 2:中国农业大学食品胶体与功能递送研究中心

摘要(Abstract)：

【目的】分析鲢（Hypophthalmichthys molitrix）肌原纤维结合型丝氨酸蛋白酶（Myofibril-bound serine proteinase,MBSP）结构的基础特性。【方法】使用Alpha Fold2对鲢MBSP进行结构建模，通过保守性分析、静电势计算、分子对接等手段探讨鲢鱼MBSP的结构特征，并借助分子动力学模拟研究钙结合对其结构的影响。【结果与结论】鲢鱼MBSP的活性酶形式含222个残基，有胰蛋白酶样丝氨酸蛋白酶的典型结构特征，但表面充斥着更多赖氨酸，使其表面“粗糙”且利于离子键形成。62Asn及61Glu是其关键的钙结合位点，钙结合导致的结构变动可传至C端，40His、自溶环、氧阴离子稳定环等关键区域的柔性变化是钙激活机制中的重要部分。葡萄糖-6-磷酸异构酶二聚体上的10Arg及17Lys是参与鲢鱼MBSP底物结合竞争的潜在关键位点。除催化活性口袋外，潜在的变构位点亦是MBSP抑制剂设计的可选出发点。

关键词(KeyWords)： 鲢鱼;肌原纤维结合型丝氨酸蛋白酶;结构建模;钙结合

Abstract:

Keywords:

基金项目(Foundation): 国家大宗淡水鱼产业技术体系(CARS-45);; 国家自然科学基金(31901761);; 国家重点研发计划“蓝色粮仓科技创新”重点专项(2018YFD0901002)

作者(Author): 冯淳淞,梁释介,罗永康,谭雨青,洪惠

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