Flexibility Analysis of Bacillus thuringiensis Cry1Aa  

作　　者：ZHAO Xin Min XIA Li Qiu YANG Xiao Ping PENG Xiao Yun 

机构地区：[1]Department of Chemistry and Environmental Engineering,Hunan City University [2]Key Laboratory of Microbial Molecular Biology of Hunan Province,College of Life Science,Hunan Normal University [3]Division of Medical Oncology,Department of Medicine,School of Medicine,University of Colorado Anschutz Medical Campus

出　　处：《Biomedical and Environmental Sciences》2015年第9期634-641,共8页生物医学与环境科学（英文版）

基　　金：supported by grants from the National Natural Science Foundation of China(No.30670052);863 Program of China(No.2006AA02Z187)

摘　　要：Objective To investigate the flexibility and mobility of the Bacillus thuringiensis toxin Cry1 Aa. Methods The graph theory-based program Constraint Network Analysis and normal mode-based program NMsim were used to analyze the global and local flexibility indices as well as the fluctuation of individual residues in detail. Results The decrease in Cry1 Aa network rigidity with the increase of temperature was evident. Two phase transition points in which the Cry1 Aa structure lost rigidity during the thermal simulation were identified. Two rigid clusters were found in domains I and II. Weak spots were found in C-terminal domain III. Several flexible regions were found in all three domains; the largest residue fluctuation was present in the apical loop2 of domain II. Conclusion Although several flexible regions could be found in all the three domains, the most flexible regions were in the apical loops of domain II.Objective To investigate the flexibility and mobility of the Bacillus thuringiensis toxin Cry1 Aa. Methods The graph theory-based program Constraint Network Analysis and normal mode-based program NMsim were used to analyze the global and local flexibility indices as well as the fluctuation of individual residues in detail. Results The decrease in Cry1 Aa network rigidity with the increase of temperature was evident. Two phase transition points in which the Cry1 Aa structure lost rigidity during the thermal simulation were identified. Two rigid clusters were found in domains I and II. Weak spots were found in C-terminal domain III. Several flexible regions were found in all three domains; the largest residue fluctuation was present in the apical loop2 of domain II. Conclusion Although several flexible regions could be found in all the three domains, the most flexible regions were in the apical loops of domain II.

关 键 词：Flexibility Cry1Aa Bacillus thuringiensis Constraint Network Analysis NMSim 

分 类 号：R378[医药卫生—病原生物学]