1,3-丙二醇脱氢酶三级结构的模建

利用生物大分子数据库及生物信息学技术，对来源于Klebsiella pneumoniae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．

Modeling the Tertiary Structure of 1,3-Propandiol Dehydrogenase

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.