来源于克雷伯氏菌的1,3-丙二醇氧化还原酶的同源建模  

Homology modeling of 1,3-propanediol oxidoreductase from Klebsiella pneumonide

作　　者：张燎原[1] 曹阳[1] 夏启容[1] 洪燕[1] 方柏山[1] 

机构地区：[1]华侨大学工业生物技术研究所,福建泉州362021

出　　处：《生物信息学》2006年第3期102-104,127,共4页Chinese Journal of Bioinformatics

基　　金：国家自然科学基金资助项目(20276026);福建省自然科学重点项目基金资助(D0120002)

摘　　要：用Swiss-Model和Modeller对来源于Klebsiella pneumonide的1,3-丙二醇氧化还原酶(PDOR)进行三级结构建模,并对所得的6个目标模型进行评价和比较,从中选择最好的一个模型,预测了辅酶NADP+和Fe2+在PDOR结构空间的近似位置,并定位了与NADP+和Fe2+作用的相关残基。Six three- dimensional structural models of 1,3- propanediol oxidoreductase （PDOR） from Klebsiella pneumonide were constructed by homology modeling with Swiss- Model and Modeller, These models were analyzed by the PROCHECK programs. The best quality model was chosen to test interaction energies including combined energy, pair energy and surface energy by PROSA2003.Appropriate binding sites of NADP^＋ and Fe^2＋ were predicted, and found relative residues which can possibly form H- bonds or interact with NADP^＋ and Fe^2＋.

关 键 词：1 3-丙二醇氧化还原酶 三级结构 同源建模 NADP^+ 

分 类 号：Q933[生物学—微生物学] R978[医药卫生—药品]