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. Author manuscript; available in PMC: 2021 Feb 5.
Published in final edited form as: J Am Chem Soc. 2020 Jan 16;142(5):2244–2252. doi: 10.1021/jacs.9b09070

Figure 4.

Figure 4.

Modeled cofactor dynamics in PhqK. Flavin dynamics were modeled from HpxO crystal structure (FAD and substrate in lavender) (PDB: 3rp7) to depict the β€œin” conformation of the flavin relative to the substrate position. The surface representation of PhqK is shown along with the substrate and FAD from the PhqK structure (orange). Substrates 14 (a.) and 15 (b.) are shown in green and teal.