- Structure-based rational design of a phosphotriesterase.
Structure-based rational design of a phosphotriesterase.
Applied and environmental microbiology (2009-06-09)
Colin J Jackson, Kahli Weir, Anthony Herlt, Jeevan Khurana, Tara D Sutherland, Irene Horne, Christopher Easton, Robyn J Russell, Colin Scott, John G Oakeshott
PMID19502439
ABSTRACT
In silico substrate docking of both stereoisomers of the pesticide chlorfenvinphos (CVP) in the phosphotriesterase from Agrobacterium radiobacter identified two residues (F131 and W132) that prevent productive substrate binding and cause stereospecificity. A variant (W131H/F132A) was designed that exhibited ca. 480-fold and 8-fold increases in the rate of Z-CVP and E-CVP hydrolysis, respectively, eliminating stereospecificity.
MATERIALS