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  • 严少敏,师德强,农浩,吴光.贝塔-葡萄糖苷酶催化反应的最适pH值和最适温度的同时预测[J].广西科学,2011,18(3):253-260.    [点击复制]
  • YAN Shao-min,SHI De-qiang,NONG Hao,WU Guang.Simultaneously Predicting Optimum pH Value and Optimum Temperature in Catalytic Reaction of Beta-glucosidase[J].Guangxi Sciences,2011,18(3):253-260.   [点击复制]
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贝塔-葡萄糖苷酶催化反应的最适pH值和最适温度的同时预测
严少敏1, 师德强1, 农浩1, 吴光2
0
(1.广西科学院非粮生物质国家重点实验室, 国家非粮生物质能源工程技术研究中心, 广西生物炼制重点实验室, 广西南宁 530007;2.深圳市追梦科技咨询有限公司, 广东深圳 518054)
摘要:
利用氨基酸特征同时预测贝塔-葡萄糖苷酶反应的最适pH值和最适温度。首先,用不同的氨基酸特征对贝塔-葡萄糖苷酶进行量化作为输入,以最适pH值和最适温度作为输出;然后用20-2前馈反向传播的神经网络进行训练;最后用子集验证、刀切验证和交叉验证三种方法进行验证。结果表明,在24个氨基酸特征中只有4个特征可以用于模型预测,其中氨基酸分布概率的预测结果优于其它指标,为基于氨基酸属性预测酶的功能参数提供了方法。
关键词:  氨基酸  贝塔-葡萄糖苷酶  最适pH值  最适温度  预测  工作条件
DOI:
投稿时间:2011-01-07
基金项目:supported by Guangxi Academy of Sciences(08YJ6SW06);Guangxi Science Foundation(0907016、0991013、0991006Z、1004606、1103111、2010GXNSFF013003 and 2010GXNSFA013046)
Simultaneously Predicting Optimum pH Value and Optimum Temperature in Catalytic Reaction of Beta-glucosidase
YAN Shao-min1, SHI De-qiang1, NONG Hao1, WU Guang2
(1.State Key Laboratory of Non-food Biomass Enzyme Technology, National Engineering Research Center for Non-food Biorefinery, Guangxi Key Laboratory of Biorefinery, Guangxi Academy of Sciences, Nanning, Guangxi, 530007, China;2.DreamSciTech Consulting, Shenzhen, Guangdong, 518054, China)
Abstract:
The features of amino acids were used to simultaneously predict optimum pH value and optimum temperature of beta-glucosidases.Firstly, the beta-glucosidases were quantified by different features of amino acids as inputs, and their optimum pH value and optimum temperature were served as outputs;secondly, the training was conducted by means of 20-2 feedforward backpropagation neural network;finally, the validation was performed by three approaches, subset validation, jackknife validation, and cross-validation.The results showed that among 24 features of amino acids only 4 features worked in the prediction model and the amino-acid distribution probability as predictor gave better results.Thus, the method developed in this study paved the way towards the prediction of functional parameters of enzymes based on their amino-acid properties.
Key words:  amino acid  beta-glucosidase  optimum pH value  optimum temperature  prediction working condition

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