Table 3.

Distances calculated between iron and the carbon atoms of R in CYP2J2-terfenadone derivative complex models ^(a)

	Distances (Å)
Substrate	Cα	Cβ	Cγ
3	5.1 ± 0.1	3.9 ± 0.1	-
	(2%)	(98 %)
4	4.9 ± 0.2	3.8 ± 0.1	4.6 ± 0.1
	(5 %)	(85 %)	(10 %)
7	4.2 ± 0.5	4.4 ± 0.5	4.6 ± 0.5
	(33 %)	(66 %)	(1 %)

^(a)α, β and γ positions relative to the phenyl ring. Values are means ± SD from 3 structural models obtained from various docking procedures where the initial position of the substrate was changed. Values in parentheses, drawn from Table 2, refer to the regioselectivity of CYP2J2-catalyzed hydroxylation of the carbons of the R chain for each substrate.