All-Electron Wavefunction of Electron Transfer Protein Cytochrome c by Density Functional Theory

摘要

Cytochrome c (cyt.c),which exists in the respiratory chain in the inner mitochondrial membrane,is a famous electron transfer protein.The horse heart cyt.c contains 104 residues and a c-type heme (Fe-protoporphyrin).Protoporphyrin is bound covalently to polypeptide (apo-protein) of cyt.c via thioether bonds between two vinyl side chains and Cys 14 and 17.Residues His 18 and Met 80 form the 5-th and 6-th ligands of heme iron,respectively.