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. 2021 Apr 9;16(13):2082–2088. doi: 10.1002/cmdc.202100133

Figure 3.

Figure 3

Electron‐density maps for the PHD2–Molidustat and IOX4 complexes and key active site interactions. A) 2mF O‐F C electron density map of the PHD2‐Molidustat (olive) complex with key residues shown (chain A). B) 2D PHD active site interactions with Molidustat. C) 2mF O‐F C electron density map of the PHD2‐IOX4 (yellow) complex with key residues shown (chain A). D) 2D PHD active site interactions with IOX4. A)–D) Note the pyrazolone ring is likely to be in its enol form; W1 and W2 are two active‐site water molecules that interact with the triazole side chain, Arg383, and Tyr329.