橡胶材小蠹5个化学感受蛋白与信息化合物的分子对接  

Molecular Docking of Five Chemosensory Proteins in Xyleborus affinis with Semiochemicals

作　　者：张凯 郭技星 王倩 邬祺 许哲源 邓礼楠 周祥 ZHANG Kai;GUO Jixing;WANG Qian;WU Qi;XU Zheyuan;DENG Linan;ZHOU Xiang(School of Tropical Agriculture and Forestry,Hainan University/Key Laboratory of Green Prevention and Control of Tropical Plant Diseases and Pests,Ministry of Education,Danzhou,Hainan 571737,China)

机构地区：[1]海南大学热带农林学院/热带农林生物灾害绿色防控教育部重点实验室,海南儋州571737

出　　处：《热带作物学报》2024年第11期2380-2389,共10页Chinese Journal of Tropical Crops

基　　金：国家自然科学基金地区基金项目(No.32060644);海南省自然科学基金项目(No.322MS012);海南省科技人才创新项目(No.KJRC2023D01)

摘　　要：橡胶材小蠹(Xyleborus affinis)是橡胶树的主要害虫之一,利用信息化合物对其进行监测或诱集防控已成为橡胶害虫防治的关键手段。在昆虫识别信息化合物的过程中,化学感受蛋白(chemosensory proteins,CSPs)发挥着重要作用。为了探究化学感受蛋白在橡胶材小蠹识别信息化合物中的作用,本研究克隆并鉴定了5个橡胶材小蠹化学感受蛋白XaffCSP1~XaffCSP5基因。利用生物信息学方法分析了XaffCSPs核酸及氨基酸序列特征,利用分子对接技术解析了XaffCSPs与橡胶材小蠹15种信息化合物的结合能力及结合模式,其中包括14种寄主植物挥发物和1种聚集信息素。结果表明:橡胶材小蠹5个XaffCSPs基因开放阅读框(open reading frame,ORF)长度为366~417 bp,编码121~138个氨基酸,预测蛋白质分子量为13.95~16.08 kDa,氨基端含有17~20个氨基酸残基组成的信号肽,蛋白质结构二级结构均以α-螺旋为主,并且5个XaffCSPs均具有4个保守的半胱氨酸位点,符合昆虫化学感受蛋白的典型特征。系统发育树结果显示,除XaffCSP5单独聚为一支外,XaffCSP1~XaffCSP4分别与其他小蠹不同CSPs聚为一支。利用trRosetta平台对XaffCSPs进行模型构建,5个XaffCSPs的三维模型均由6个α-螺旋组成,模型评估结果表明模型质量良好。分子对接结果显示5个XaffCSPs对α-古巴烯和长叶烯均表现出很强的结合能力;此外,XaffCSP4对萜品油烯和柠檬烯结合较强,而XaffCSP5对莰烯、α-蒎烯和β-蒎烯有较强结合;5个XaffCSPs与顺式-马鞭草烯醇结合能力相对较弱。研究表明5个XaffCSPs与寄主植物挥发物有较好的亲和力,可能参与橡胶材小蠹对寄主植物挥发物的识别,研究结果为阐明橡胶材小蠹识别信息化合物的分子机制奠定理论基础,对橡胶材小蠹的防控具有重要意义。Xyleborus affinis,a main pest of rubber trees,is effectively monitored and controlled using semiochemicals,a key method in rubber pest management.Chemosensory proteins(CSPs)are believed to play an important role in the process of binding and transporting odorants in insect.To elucidate the role of chemosensory proteins in semiochemicals recognizing by X.affinis,the XaffCSP1~XaffCSP5 genes were cloned and identified in this study.The characteristics of nucleotide and deduced amino acid sequences of the genes were analyzed using bioinformatics methods.The binding mode and ability with 15 different ligands(14 host plant volatiles and 1 aggregation pheromone)was analyzed using molecular docking technology.Results revealed that the length of the open reading frame(ORF)of the five XaffCSPs genes was 366-417 bp,encoding 121-138 amino acids.The predicted protein molecular weight was 13.95-16.08 kDa and all five XaffCSPs contained signal peptide composed of 17-20 amino acid residues at N-terminal.The secondary structure of the proteins was mainly composed ofα-helix.All five XaffCSPs possessed four conserved cysteine residues,conforming to the typical characteristics of insect chemosensory proteins.Phylogenetic tree anaylsis indicated that ex-cept for XaffCSP5,XaffCSP1 to XaffCSP4 were clustered with CSPs of other bark beetle species.The three-dimen-sional models of the the five XaffCSPs were with good model quality according to model assessment results,and the models of the five XaffCSPs were composed of sixα-helices.Molecular docking results demonstrated all five XaffCSPs had a strong binding affinity with(-)-α-copaene and(+)-longifolene.Additionally,XaffCSP4 showed strong binding to terpinolene and limonene,while XaffCSP5 showed strong binding to camphene,α-pinene,andβ-pinene.The binding ability of the five XaffCSPs to(S)-cis-verbenol was relatively weak.The results demonstrated that the five XaffCSPs had good affinity with host volatiles and may be participated in the process of recognizing host plant volatiles by

关 键 词：橡胶材小蠹 化学感受蛋白 序列分析 信息化合物 分子对接 

分 类 号：S763.7[农业科学—森林保护学]