Bovine liver cytochrome b
5 (cyt b
5), with heme bound noncovalently, has been converted into a cyt c-like protein (cyt b
5 N57C) by constructing a thioether linkage between the heme and the engineered cysteine residue. With no X-ray or NMR structure available, we herein performed a molecular modeling study of cyt b
5 N57C. On the other hand, using amino acid sequence information for a newly discovered member of the cyt b
5 family, domestic silkworm cyt b
5 (DS cyt b
5), we predicted the protein structure by homology modeling in combination with MD simulation. The modeling structure sho...