The Crystal Water affect in the Interaction between the Tenebrio Mollitor Alpha-amylase and Amylase 20
In this paper, molecular dynamics simulation of the interaction between the tenebrio mollitor alpha-amylase and amylase 20 at different proportion of crystal water was carried out with OPLS force field by hyperchem 7.5 software. (1) The optimal temperature of interaction between alpha-amylase and amylase 20 was 330K without crystal water that was close to the results of experimentation. As temperature increase, the interaction energy between alpha-amylase and amylase 20 tends to get smaller. The forming amylase 20 - water was hard, but the incorporating enzyme was easy. The forming of enzyme -water was easy, but the incorporating amylase 20 was impossible. (2)Analyzed the potential energy data, the interaction energy between alpha-amylase and amylose 20 was on the nadir at 320K, 340K when the proportion of crystal water was 5:5 and 4:6 respectively. (3)Compared the correlative QSAR properties, this proportion of crystal water was close to the data of Refractivity (9.7％) and Polarizability (9.5％) in the QSAR properties. The optimal temperature was 340K. These results were close to 330K the result of experimentation. These findings have theoretical and practical implications.
Alpha-amylase Amylase 20 Crystal water Optimal temperature
朱志飞 宁婷婷 徐祖民 张革新 马延和
江南大学化学与材料工程学院,江苏无锡,214122 中国科学院微生物研究所,北京,100080
国际会议
成都
英文
2007-11-19（万方平台首次上网日期，不代表论文的发表时间）