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. Author manuscript; available in PMC: 2010 Jun 23.
Published in final edited form as: J Am Chem Soc. 2007 Jan 10;129(1):113–125. doi: 10.1021/ja065627h

Figure 10.

Figure 10

The LUMO orbitals (hole) calculated for the active site of (a) the bis-histidine-ligated heme bovine microsomal cytochrome b5, 1CYO114 and (b) the histidine-methionine-ligated bovine heart cytochrome c 1B4Z.115,116 The grey rectangles relative to the black cross indicate the orientation of the ImH ligands to the heme, projected into the xy heme plane. The methionine sulfur is at the intersection of the two short yellow rectangles in (b). Dotted blue lines (----) indicate the most exposed part of the heme edge of these two structures.