Computational Evidence for a Water-Assisted Proton-Transfer Mechanism in Uronate Isomerase from Bacillus Halodurans (Bh0493)
Uronate isomerase (EC 5.3.1.12; URI) catalyzes uronate sugar interconversion, a key step in bacterial metabolism, yet its reaction mechanism remains poorly understood. This study delineates the detailed mechanism for the isomerization of d-glucuronate to d-fructuronate catalyzed by a Zn2+-dependent URI enzyme (from Bacillus halodurans). Using quantum mechanical (QM) cluster calculations, three mec
