EXAFS OF LOW SPIN FERRIC CENTER OF NITRILE HYDRATASE

我们一直在继续研究低自旋铁 腈水合酶中心，与马克纳尔逊和 杜邦公司的约翰·卡明斯为我们提供了冷冻蛋白质 样品 EXAFS已经确定了铁的两个或三个硫配体 中心，其余配体为氧或氮 散射体 一些微小的变化与抑制剂的结合 (to酶不一定是铁中心），例如 苯肼或异丁腈。 我们目前正在 模拟EXAFS，给出键长分布， 这可能会让我们深入了解正在发生的变化 这些抑制剂的结合。 科学分项目61

We have been continuing our investigations of the low spin iron center in nitrile hydratase, in collaboration with Mark Nelson and John Cummings of DuPont, who have provided us with frozen protein samples. EXAFS has identified two or three sulfur ligands to the iron center, with the remaining ligands being oxygen or nitrogen scatterers. Some minor changes are seen with binding of inhibitors (to the enzymenot necessarily to the iron center) such as phenylhydrazine or isobutyronitrile. We are currently in the process of modelling the EXAFS to give bond length distributions to see if this may give insight into the changes which are occuring on the binding of these inhibitors. SCIENTICIC SUBPROJECT 61