1,3-丙二醇脱氢酶三级结构的模建  

Modeling the Tertiary Structure of 1,3-Propandiol Dehydrogenase

作　　者：张光亚[1] 陈迪[1] 方柏山[1] 

机构地区：[1]华侨大学材料科学与工程学院,福建泉州362021

出　　处：《华侨大学学报（自然科学版）》2004年第4期426-429,共4页Journal of Huaqiao University(Natural Science)

基　　金：国家自然科学基金资助项目 (2 0 2 76 0 2 6 );福建省自然科学重点基金资助项目 (D0 12 0 0 0 2 )

摘　　要：利用生物大分子数据库及生物信息学技术 ,对来源于Klebsiellapneumoniae的 1,3 丙二醇脱氢酶分子进行二级结构预测、多序列联配 .实验发现 ,其具有较保守的铁离子结合位点 ,而未发现常见的NAD(H)结合位点 .在此基础上 ,利用同源建模法和穿线法模建该酶的三级结构 ,进一步发现铁离子结合位点在空间上形成一口袋状结构 .探讨对其作用机制 ,同时发现该序列中存在 2个含铁元素的乙醇脱氢酶信号 .Based on the knowledge of bioinformatics, secondary structure prediction and muti-sequencing aligment of 1,3-propanediol dehydrogenase from Klebsiella pneumoniae were performed with the biological macromolecule databases and softwares. The results showed that it contains a fairly conserved iron-binding motif instead of the commonly seen NAD(H)-binding motif. On this basis, homologous modeling and threading were used to model the tertiary structure. The results of homology modeling indicated that the conserved iron-binding motif formed a cleft where the Fe 2+ may be bounded. Two iron-containing alcohol dehydrogenases signatures were found in it.

关 键 词：1 3-丙二醇脱氢酶 三级结构 同源建模法 穿线法 

分 类 号：Q554.901[生物学—生物化学] Q617