鲫鱼GABAARβ_3亚基生物信息学分析与同源建模

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GABAARβ_3的全长(GenBank登录号:KC964110)。序列分析显示该基因核苷酸序列共2 767 bp,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56 KD。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GABAARβ_3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α亚基(PDB ID:3RHW)作为模板,用DS(Discovery Studio)模拟鲫鱼GABAAβ_3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。

The Bioinformatics Analysis and Computer Simulation of GABAAR P3 Subunit of Carassius auratus

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.