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Structure-based rational design of a phosphotriesterase

Jackson, Colin J; Weir, Khali; Herlt, Anthony; Khurana, Jeevan; Sutherland, Tara D; Horne, Irene; Easton, Christopher; Russell, Robyn; Scott, Colin; Oakeshott, John Graham


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.

CollectionsANU Research Publications
Date published: 2009
Type: Journal article
Source: Applied and Environmental Microbiology
DOI: 10.1128/AEM.00629-09


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