Skip to main content
. Author manuscript; available in PMC: 2020 Jul 8.
Published in final edited form as: J Am Chem Soc. 2020 Mar 16;142(13):6268–6284. doi: 10.1021/jacs.0c00484

Figure 5.

Figure 5.

Crystallographic snapshots of AsqJ-catalyzed epoxidation. (A) The AsqJ·Fe·2OG·2-H·peroxide quinary complex (PDB code: 6K0E). (B) An intermediate structure show that the AsqJ-catalyzed epoxidation may start from the oxygenation of C10 (PDB code: 6JZM). The red arrowhead points to the position of the oxygen atom. The magenta sphere (right panel) shows the modeled oxygen atom in an idealized axial position. (C) The product-bound AsqJ·Fe·2OG·3-H·peroxide quinary complex (PDB code: 6K0F). The 2Fo-Fc maps (grey mesh) and unbiased Fo-Fc maps highlighting Fe and the extra piece of electron density (blue) are contoured at 1.0 σ and 3.4 σ, respectively. The bound ligands (cofactors and substrates) and peroxide are shown in stick form. The Fe is shown as orange sphere. The carbon atoms of ligands and selected amino acid side chains are colored green. The remaining atoms are colored according to the CPK scheme