鲫鱼GABAARβ_3亚基生物信息学分析与同源建模  

The Bioinformatics Analysis and Computer Simulation of GABAARβ_3 Subunit of Carassius auratus

作　　者：秦菠 张博[1] 周艳芬[2] 汪小芬[1] 曹振龙[2] 任天瑞[1] 王振山[2] 

机构地区：[1]上海师范大学生命科学与环境学院高分子化学与物理实验室,上海200234 [2]河北大学生命科学学院分子生物学实验室,保定071002

出　　处：《世界农药》2014年第2期27-33,60,共8页World Pesticide

基　　金：国家自然科学基金(21072216);国家自然科学基金(31171191);上海市重点学科(S30406);上海市科委基金项目(11ZR1426800);河北省自然基金项目(C2012201106)

摘　　要：A型γ-氨基丁酸（aminobutyric acid，GABA）是一类配体门控离子通道型受体，亦为脊椎动物和非脊椎动物的中枢神经系统内最主要的抑制性神经递质GABA的受体，其离子通道上存在氟虫腈等杀虫剂的作用靶点，是医药和农药工作者研究的重点。通过RACE—PCR技术成功获取新基因鲫鱼GABAARβ3的全长（GenBank登录号：KC964110）。序列分析显示该基因核苷酸序列共2767bp，含有1个由502个氨基酸残基组成的开放阅读框，编码蛋白分子量约为56KD。报道了该基因的生物信息学分析和三维结构模拟及其与氟虫腈作用情况，BLAST结果表明，氨基酸序列与其他已知GABAAR岛基因家族成员间序列相似性介于76％～89％之间，并与其他亚族蛋白基因存在很高的同源性。以线虫体内对阿维菌素敏感的谷氨酸门控氯离子通道受体蛋白的a亚基（PDBID：3RHW）作为模板，用DS（Discovery Studio）模拟鲫鱼GABAA鼠亚基的同源五聚体结构，优化结构模型，与农药配体分子做分子对接，计算作用模式和结合能力。研究鱼类GABAAR亚基与农药分子的作用。A-gamma-aminobutyric acid is a type of（aminobutyric acid, GABA） ligand gated Ion Channel receptor, is the primary inhibitory neurotransmitter GABA receptors in the central nervous system of vertebrates and invertebrates, there are pesticide targets such as fipronil on ion channels, this receptor is the focus of research on medicine and pesticide workers. Our lab successfully gets the full length GABAAR ,83 gene of Carassius auratus （GenBank accession number： KC964110）through RACE-PCR technology. Total nucleotide sequence analysis revealed that the genes sequence is 2 767 bp, with 1 open reading frame consists of 502 amino acid residues of molecular weight approximately 56 KD. This paper reports the bioinformatic analysis and simulation of three-dimensional structure of the gene and its role in the situation with Fipronil, BLAST results showed that the amino acid sequence with other known gene family members GABAARfl3 sequence similarity between 76%-89 % and there is a high homology with other gene subfamily. We use the avermectin-sensitive glutamate-gated chloride channel a-subunit of the receptor protein （PDB ID：3RHW） as a template, simulation homologous pentamer structure of,83 subunit, optimize the structure model and calculation of small-molecule chemical substances and their effects, Calculating the mode of action and the binding capacity, Study the effect between fish GABAAR subunits and pesticide molecular.

关 键 词：鲫鱼 污染 克隆 模拟 

分 类 号：TQ450.1[化学工程—农药化工]