禽流感分离株GD/1/96(H5N1)非结构蛋白结构建模  

Structure Modeling of the nonstructural protein from A/Goose/Guangdong/1/96 (H5N1) strain of avian influenza virus

作　　者：郭莹莹[1] 吴春艳[1] 王靖飞[1] 

机构地区：[1]中国农业科学院哈尔滨兽医研究所兽医生物技术国家重点实验室,黑龙江哈尔滨150001

出　　处：《中国预防兽医学报》2010年第3期171-174,共4页Chinese Journal of Preventive Veterinary Medicine

基　　金：中国农业科学院哈尔滨兽医研究所院所长基金(2008-17)

摘　　要：为预测H5N1亚型禽流感病毒(AIV)NS1蛋白全长结构,本研究以A/Goose/Guangdong/1/96(H5N1)株NS1蛋白氨基酸序列为目标序列,通过同源建模以及蛋白质结构叠合预测出NS1蛋白全长单体以及二聚体初始结构,采用约束分子动力学方法对初始结构进行优化,并利用立体化学、折叠可靠性、残基包装质量等评判方法对优化后的模型进行评估。结果表明所建立的NS1蛋白全长单体及二聚体结构模型具有很高的可信度,可用于基于结构的功能研究及虚拟筛选等工作。To determine the 3D structure of full length NS1 protein of H5N1 avian influenza virus,initial models were built based on the NS1 amino acid sequence of A/Goose/Guangdong/1/96 （H5N1） strain using the homology modeling method. Constrained molecular dynamics simulations were used to refine the initial models,and the quality of the models were assessed by stereochemical accuracy,folding reliability and packing quality. The results showed that the models of the monomer and the dimer are of high quality,which could be used for function studies and virtual screening.

关 键 词：禽流感病毒 H5N1 NS1 同源建模 

分 类 号：S852.65[农业科学—基础兽医学]