【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。更多还原

【Abstract】 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 Fe²⁺ were predicted,and found relative residues which can possibly form H-bonds or interact with NADP⁺ and Fe²⁺.更多还原