Figure 3
Substrate–ClbL active-site interactions. (a) Schematic of the overall ClbL reaction and substrate interactions. The overall pathway is shown along with the interactions of a modeled PMSF adduct (boxed). R1 and R2 represent the extended end chains of precolibactin (Fig. 1). (b) Composite omit electron-density map, contoured at 1.0 Å, of the modeled phenylmethylsulfonyl–Ser179 adduct. Hydrogen-bonding distances are 2.7 Å (Ser155/sulfonyl) and 3.2 Å (Ser155 cis-amide/sulfonyl). (c) ClbL surface representation of a modeled bound substrate (Supplementary Fig. S5, yellow). |