Molecular simulations study of Ligand-release mechanism in an odorant-binding protein from the southern house mosquito
会议名称:《中国化学会第28届学术年会》
会议日期:2012年
学科分类:0710[理学-生物学] 071010[理学-生物化学与分子生物学] 07[理学]
摘 要:Pheromone-binding proteins (PBP) transport hydrophobic pheromones through the aqueous medium to their *** odorant binding protein (OBP) of Culex quinquefasciatus (CquiOBP1),which binds to an oviposition pheromone (5R,6S)-6-acetoxy-5-hexadecanolide (MOP),plays a key role in sensing oviposition ***,so far the mechanism of MOP-release from the protein is ***,in this contribution the process and pathway of the MOP-release from CquiOBP1 are determined by conventional MD,essential dynamics and essential dynamics *** detailed analysis of the release process suggests the intrinsic flexibility of MOP,the distribution of contacts with MOP and local conformational changes of CquiOBP1 are crucial.