Computational Analysis of Azetidine-2-Carboxylate Hydrolase

ABSTRACT

L-Azetidine-2-Carboxylate (LA2C) is a toxic analog of proline found in Convallaria majalis (the “Lilly of the Valley” plant). Recent experiments have provided strong evidence that LA2C can be detoxified by a novel enzyme, Azetidine-2-carboxylate Hydroxlase (ACH), as part of a pathway that also allows it to be the sole nitrogen and carbon source for the bacteria Pseudomonas sp. A2C.

This study validated and expanded this knowledge of LA2C’s mechanism and pathway using computational analysis. This was done by:

• Creating a model of the ACH protein and hypothesizing about its mechanistic residues
• Comparing ACH with other members of its superfamily
• Using genome analysis to hypothesize about other genomes that may be functionally related to the ACH pathway

These results can be used to guide further biological experiments into ACH’s catalytic and pathway mechanisms.