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. 2022 Nov 28;12(24):15028–15044. doi: 10.1021/acscatal.2c03974

Figure 2.

Figure 2

Definitions of NACs for P450-catalyzed compactin (6S)-hydroxylation. The symbol d denotes the distance between the reactive oxygen and the hydrogen (pro-S is shown) that is replaced by a hydroxyl group. θ1 is the angle between the iron, the reactive oxygen, and the hydrogen. θ2 is the angle between the reactive oxygen, the carbon, and the hydrogen of the substrate. NAC criteria were: d ≤ 2.7 Å; 100° < θ1 < 140°; and θ2 > 140°. The same criteria were used for pro-R NACs.