Mechanism and transition state structure for papain catalysed amide hydrolysis, using a hybrid QM/MM potential
- 1 January 1996
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- No. 24,p. 2769-2770
- https://doi.org/10.1039/cc9960002769
Abstract
The transition state for amide hydrolysis catalysed by the enzyme papain 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.Keywords
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