细胞色素C中肽段相对运动的动力学分析

我们利用经验势函数作为蛋白质分子内部相互作用势的依据,使用自己编写的程序对细胞色素C中残基80～83构成的肽段的动力学性质进行了计算,并在郎之万方程近似下进行了粗略的讨论.有关的X射线晶体学研究发现,该肽段在细胞色素C的氧化态和还原态构象上有明显的差异;我们的计算结果说明,这种构象变化不可能起因于该肽段的随机摆动.

Study on the Dynamical Property of the Local Motion of Cytochrome C

A computer calculation with experimental potential function,which had been used by M. Karplns et al, was made to determine the dynamical property of the peptide segment from the 80th to the 83rd a. a. residues, of cytochrome C. As calculating the potential energy curve of local-dangling motion we used energy-minimization with energy accuracy rating being 0.01 Kcal/mol. The result shows that the conformtional change of this peptide segment observed from X-ray analysis of ferri- and ferro-cytochrome Cs needs so much energy that it cannot he the esult of a random motion.