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. Author manuscript; available in PMC: 2018 May 29.
Published in final edited form as: J Am Chem Soc. 2018 Apr 11;140(16):5544–5559. doi: 10.1021/jacs.8b01822

Figure 3.

Figure 3

DFT-optimized structure of BZDOp that is consistent with the NRVS data. Protein carbons are shown in green, benzoate carbons in purple, nitrogens in blue, oxygens in red, hydrogens in white, and iron in orange.