The histidine ammonia-lyase (HAL) biocatalyst has an important role in the formation of (E)-urocanic acid from L-histidine eliminating ammonia. In order to investigate the active center of HAL, we have prepared "in silico" a HAL model with a compact active center on the basis of the recently appeared phenylalanine ammonia-lyase (PAL) structure (PDB code: 3CZO). Furthermore, to have a better view on the orientation of a key reaction intermediate within the active site, systematic conformational analysis has been performed. Furthermore, the possible positions of the L-histidine/(E)-urocanic acid were evaluated by optimization and docking.
|Number of pages||9|
|Journal||Studia Universitatis Babes-Bolyai Chemia|
|Publication status||Published - Oct 8 2010|
- Conformational analysis
- Histidine ammonia-lyase
- Homology modeling
ASJC Scopus subject areas