iORbase:A database for the prediction of the structures andfunctions of insect olfactory receptors  

作　　者：Qian Li Yi-Feng Zhang Tian-Min Zhang Jia-Hui Wan Yu-Dan Zhang Hui Yang Yuan Huang Chang Xu Gang Li Hui-Meng Lu 

机构地区：[1]School of Life Sciences,Key Laboratory for Space Bioscience and Biotechnology,Northwestern Polytechnical University,Xi’an,China [2]College of Life Sciences,Shaanxi Normal University,Xi’an,China

出　　处：《Insect Science》2023年第5期1245-1254,共10页昆虫科学（英文版）

基　　金：supported,in part,by the NationalScience Foundation of China(32270525,31970391;the Natural Science Basic Research Program of Shaanxi(2021JM-053,2021JM-212,and 2020JM-280);the Space Science Research and Application of Chinese Manned Space Program(YYWT-0901-EXP-10);the Fundamental Research Funds for the Central Universities(GK201902008).We appreciate all researchers sharing public resources in the iORbase,and constructing and organizing the databases.We kindly thank Wikipedia,PubChem(https://pubchem.ncbi.nlm.nih.gov),Insect Pheromone database(https://www.pherobase.com),Chembl(https://www.ebi.ac.uk/chembl),NCBI assembly database(https://www.ncbi.nlm.nih.gov/assembly),and PyDescriptor(https://ochem.eu)for publicly available information and images.Wethank Dr.Su-Fang Wang from Northwestern Poly-technical University for helpful suggestions in this work.

摘　　要：Insect olfactory receptors(iORs)with atypical 7-transmembrane domains,unlike Chordata olfactory receptors,are not in the GPCR protein family.iORs selectively bind to volatile ligands in the environment and affect essential insect behaviors.In this study,we constructed a new platform(iORbase,https://www.iorbase.com)for the structural and functional analysis of iORs based on a combined algorithm for gene annotation and protein structure prediction.Moreover,it provides the option to calculate the binding affinities and binding residues between iORs and pheromone molecules by virtual screening of docking.Furthermore,iORbase supports the automatic structural and functional prediction of user-submitted iORs or pheromones.iORbase contains the well-analyzed results of approximately 6000 iORs and their 3D protein structures identified from 59 insect species and 2077 insect pheromones from the literature,as well as approximately 12 million pairs of simulated interactions between functional iORs and pheromones.We also built 4 online modules,iORPDB,iInteraction,iModelTM,and iOdorTool to easily retrieve and visualize the 3D structures and interactions.iORbase can help greatly improve the experimental efficiency and success rate,identify new insecticide targets,or develop electronic nose technology.This study will shed light on the olfactory recognition mechanism and evolutionary characteristics from the perspectives of omics and macroevolution.

关 键 词：DATABASE function prediction insect olfactory receptors PHEROMONES protein structur 

分 类 号：Q96[生物学—昆虫学]