HEME PROTEIN STRUCTURE AND DYNAMICS

将对血红素蛋白的分子结构和动力学进行研究。 利用激光激发的共振拉曼光谱进行了研究。一个 用于提取结构的理论和计算框架 来自光谱的信息将使用最近开发的 卟啉力场和分子图形。蛋白质-血红素相互作用 在细胞色素C中，过氧化物酶将被系统地研究- 定向突变体。四元系结构变化的动力学 利用紫外共振拉曼光谱对血红蛋白进行研究。 细胞色素氧化酶中的电子转移和构象偶联 用瞬时吸收和拉曼技术进行研究。这些 预计研究将有助于揭示 氧代谢通过运动与生物功能联系在一起 蛋白质。

Studies of molecular structure and dynamics in heme proteins will be carried out using laser-excited resonance Raman spectroscopy. A theoretical and computational framework for extracting structural information from the spectra will be implemented using recently developed porphyrin force fields and molecular graphics. Protein-heme interactions in cytochrome c peroxidase will be investigated systematically with site- directed mutants. The dynamics of quaternary structure change in hemoglobin will be explored wit ultraviolet resonance Raman spectroscopy. Electron transfer and conformational coupling in cytochrome oxidase will be investigated with transient absorption and Raman techniques. These studies are expected to help uncover the molecular mechanisms whereby oxygen metabolism is linked to biological function through the motions of proteins.