日本血吸虫尾蚴弹性蛋白酶结构的生物信息学分析

Bioinformatics prediction of the structure of Schistosoma japonicum cercaria elastase

目的分析日本血吸虫尾蚴弹性蛋白酶(SjCE)的结构,为药物靶标、疫苗研究提供参考。方法用Prot-param、SignalP、DNAMAN、SOSUI、Emini、BepiPred、MLRC、Geno3d等软件对SjCE的蛋白质理化参数、亲水性、可溶性、表面可及性、二级结构、三级结构、抗原表位等进行分析及预测。结果 SjCE由263个氨基酸残基组成,理论分子质量单位为28.5 ku,等电点为6.94,属于可溶蛋白;有6个表面可及性区域;BepiPred 1.0 Server预测有7个抗原表位;二级结构以无规则卷曲为主;三级结构分子建模显示,该蛋白含有丝氨酸蛋白酶活性部位,位于裂隙区的中间。结论 SjCE具有丝氨酸蛋白酶活性位点,是可溶性蛋白。该蛋白有6个潜在的抗原表位,是潜在的疫苗候选分子和药物作用靶标。

Objective To analyze the structure ofSchistosoma japonicumcercaria elastase（SjCE） in order to provide a reference for drug target and vaccine research.Methods Protparam,SignalP,DNAMAN,SOSUI,Emini,BepiPred,MLRC,and Geno3d software packages were used to predict the physical and chemical properties,hydrophilicity,solubility,surface accessibility,secondary structure,and tertiary structure of and epitopes within the amino acid sequence of SjCE.Results SjCE was found to have 263 amino acid residues;the predicted molecular weight was 28.5 ku and the predicted isoelectric point was 6.94.SjCE was a soluble protein containing six regions with high surface accessibility.BepiPred prediction indicated seven epitopes.SjCE consisted mainly of random coils.Homology modeling of the tertiary structure revealed a serine protease active site located near the cleft.Conclusion SjCE was a soluble protein containing a serine protease active site.SjCE has six potential epitopes and may be a potential molecular target for vaccine and drug development.