Any feedback?
Please rate this page
(search_result.php)
(0/150)

BRENDA support

Refine search

Search Crystallization (Commentary)

show results
Don't show organism specific information (fast!)
Search organism in taxonomic tree (slow, choose "exact" as search mode, e.g. "mammalia" for rat,human,monkey,...)
(Not possible to combine with the first option)
Refine your search

Search term:

Results 1 - 2 of 2
download as CSV
download all results as CSV
EC Number Crystallization (Commentary) Reference
Show all pathways known for 1.14.14.17Display the word mapDisplay the reaction diagram Show all sequences 1.14.14.17analysis of the terbinafine-squalene epoxidase mode of interaction by docking studies followed by molecular dynamics simulations and quantum interaction energy calculations. In the energetically most likely orientation of terbinafine its interaction energy with the protein is ca. 120 kJ/mol. In the favorable position the terbinafine lipophilic moiety is located vertically inside the squalene epoxidase binding pocket with the tert-butyl group oriented toward its center, resulting in squalene epoxidase conformational changes and preventing the natural substrate from being able to bind to the enzyme's active site. Strongest interaction between terbinafine and squalene poxide stems from hydrogen bonding between hydrogen-bond donors, hydroxyl group of Tyr90 and amine nitrogen atom of terbinafine 715725
Show all pathways known for 1.14.14.17Display the word mapDisplay the reaction diagram Show all sequences 1.14.14.17homology model of enzyme based on p-hydroxybenzoate hydroxylase from Pseudomonas fluorescens 671379
Results 1 - 2 of 2
download as CSV
download all results as CSV