摘要
用生物信息学方法对来源于klebsiella pneumonide的1,3-丙二醇氧化还原酶(即1,3-丙二醇氧化还原酶,PDOR)进行高级结构模建,并搜索其功能位点,以所得三维结构为对象,定位其铁信号结合位点、辅酶NADP大致位置以及可能的底物结合部位;在此基础上模拟PDOR活性部位,探讨该酶的构效关系。
Based on the knowledge of bioinformafics, secondary and tertiary structure predictions of PDOR were performed with the biological macromolccule databases and software. The results showed that it contained a highly conserved iron- binding motif and belonged to a novel family of alcohol dehydregenases…… type Ⅲ alcohol dehydrogenases, Homology modeling and threading were used to model the tertiary structure. The result of homology modeling indicated that the conserved iron - binding motif formed a deft where the Fe^2 + ion may bound in, At the same time, The spatial relationship between iron, iron - binding site and NAD(P) was found, the possible mechanism of the active site was discussed.
出处
《生物信息学》
2005年第3期101-103,共3页
Chinese Journal of Bioinformatics
基金
国家自然科学基金资助项目(20276026)
福建省科技计划项目(20031020)
