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. 2022 Oct 12;61(45):e202211498. doi: 10.1002/anie.202211498

Figure 2.

Figure 2

Homology‐model‐guided rifamycin design depicts C‐25 modification blocking interaction with Arr Mab . A) The structure of the archetypical compound 25‐O‐benzoyl rifabutin (5 a), where the C25 acetyl group of rifabutin is replaced by a benzoyl group. B) The overall structure of Arr Mab homology model complexed with the ADP‐ribosyl‐oxocarbenium intermediate (blue) and 5 a (cyan). C) Proposed binding modes of rifabutin (magenta) and 5 a (cyan) to the Arr Mab homology model. The distance between C23‐OH and oxocarbenium‐C1′ is measured and shown as a purple dashed line.