Understanding substrate binding and the role of gatekeeping residues in PigC access tunnels.
Stefanie BrandsJarno G SikkensMehdi D DavariHannah Ursula Clara BrassAndreas Sebastian KleinJörg PietruszkaAnna Joëlle RuffUlrich SchwanebergPublished in: Chemical communications (Cambridge, England) (2021)
Semi-rational redesign of the substrate binding pocket and access tunnels of prodigiosin ligase PigC enhanced the catalytic efficiency in the synthesis of pyrrolic anti-cancer agents more than 45 times. A molecular understanding was gained on residues V333 and T334 relevant to substrate binding and translocation of small pyrroles through PigC access tunnels.