期刊论文

Homology modeling of the odorant binding protein AglaOBP12 of Anoplophora glabripennis and its molecular docking to the host plant volatile cis-3-hexenyl acetate

中文

应用昆虫学报

2095-1353

2019

56

2

290-297

10.7679/j.issn.2095-1353.2019.036

湖南省教育厅科研项目(17A038) 黑茶金花湖南省重点实验室科研项目(2016TP1022).

本校为第一机构

【目的】研究光肩星天牛Anoplophora glabripennis气味结合蛋白AglaOBP12与寄主植物挥发物乙酸-顺-3-己烯酯的相互作用机制,为利用化学生态手段调控光肩星天牛行为提供理论依据。【方法】采用同源建模预测AglaOBP12三维结构,虚拟氨基酸突变构建两个突变子,利用Molegro Virtual Docker程序进行分子对接研究AglaOBP12与乙酸-顺-3-己烯酯的结合模式。模型的合理性评价采用GMQE、QMEAN、ramachandran图和Verify-3D。【结果】AglaOBP12的三维结构由6个α-螺旋构成且形成锥形疏水口袋结构。6个保守半胱氨酸在螺旋结构之间形成稳定结构的3个二硫键。AglaOBP12的C端疏水性氨基酸位于结合口袋的出口并对口...

[Objectives] To investigate the binding mechanism between the Anoplophora glabripennis odorant binding protein AglaOBP12 and the host plant volatile cis-3-hexenyl acetate. [Methods] The three dimensional structure of AglaOBP was predicted by homology modeling. Two mutants were obtained by virtual amino acid mutation, and the binding mode of AglaOBP12 with cis-3-hexenyl acetate was analyzed with the Molegro Virtual Docker program. The model was evaluated by GMQE、QMEAN、Ramachandran plot and Verify-3D. [Results] AglaOBP12 has six helical structu...