MECHANISM AND TRANSITION-STATE STRUCTURE FOR PAPAIN-CATALYZED AMIDE HYDROLYSIS, USING A HYBRID QM MM POTENTIAL/

Authors
HARRISON MJ BURTON NA HILLIER IH GOULD IR
Citation
Mj. Harrison et al., MECHANISM AND TRANSITION-STATE STRUCTURE FOR PAPAIN-CATALYZED AMIDE HYDROLYSIS, USING A HYBRID QM MM POTENTIAL/, Chemical communications, (24), 1996, pp. 2769-2770
Citations number
18
Categorie Soggetti
Chemistry
Journal title
Chemical communications → ACNP
ISSN journal
13597345
Issue
24
Year of publication
1996
Pages
2769 - 2770
Database
ISI
SICI code
1359-7345(1996):24<2769:MATSFP>2.0.ZU;2-N
Abstract
The transition state for amide hydrolysis catalysed by the enzyme papa in is determined using a hybrid QM(AM1)/MM potential, showing that the reaction is concerted rather than stepwise, with no involvement of a tetrahedral intermediate.