Figure 1.

Dioxygen (O2) transport in PHF8. (A) Dioxygen (O2) transport in PHF8 via tunnel-1 obtained from diffusion dynamics. The tunnel residues are not labeled here for clarity but are shown in detail in Figures S5–S7. (B) The approach of dioxygen to the Fe(II)-center for likely formation of an in-line Fe(III)-OO−. complex following 2OG rearrangement. (C) The dioxygen approach for likely formation of an off-line Fe(III)-OO−. complex. The Fe(II)-center, dioxygen, 2OG, and H3K9me2 substrates are shown as balls and sticks.