Table 1.

Rate constants for reactions of fatty acids with CYP119 Compound I.^[a]

Substrate	pH	Kbind (M−1)	kexp (s−1)	KIE[b]
Octanoic acid[c]	7.0	(4.3 ± 0.3) × 103	6.9 ± 0.2	2.3 ± 0.2
	7.2	(6.7 ± 0.8) × 103	33 ± 2	3.3 ± 0.4
	7.3	(8.9 ± 0.4) × 103	69 ± 1	4.5 ± 0.2
Dodecanoic acid[c]	7.0	(2.1 ± 0.2) × 104	33 ± 2	1.00 ± 0.2
	7.1	(3.1 ± 0.4) × 104	45 ± 2
	7.2	(4.1 ± 0.6) × 104	199 ± 6
	7.3	(4.5 ± 0.3) × 104	269 ± 8	0.92 ± 0.10
Hexadecanoic acid	6.8	(3.3 ± 0.3) × 104	10.3 ± 0.3	1.07 ± 0.08
	6.9	(4.0 ± 0.4) × 104	19.8 ± 0.7	1.03 ± 0.08
	7.0	(4.4 ± 0.2) × 104	52 ± 1	1.02 ± 0.03
	7.1	(4.6 ± 0.3) × 104	117 ± 3	1.02 ± 0.12
	7.2	(5.0 ± 0.2) × 104	241 ± 4	1.03 ± 0.04
	7.3	(5.8 ± 0.6) × 104	514 ± 25	1.03 ± 0.16

^[a]Reactions in 100 mM phosphate buffer at 4 °C with errors at 1σ.

^[b]Kinetic isotope effect in k_exp. with errors at 2σ.

^[c]At pH 7.4, apparent second-order rate constants were k_app = (4.9 ± 0.2) × 10⁵ M⁻¹ s⁻¹ for octanoic acid and k_app = (1.2 ± 0.1) × 10⁷ M⁻¹ s⁻¹ for dodecanoic acid.