Lavenders are economically significant plants cultivated worldwide for their essential oils (EOs) containing sesquiterpenes. These EOs contribute to the cosmetic, personal hygiene, and pharmaceutical industries. The biosynthesis of lavender sesquiterpenes involves enzymes like sesquiterpene synthases GEAS and GERDS. The structure and functional mechanism of these sesquiterpene synthases (GEAS or GERDS) are not fully understood. Here, we achieved the successful expression and purification of monomeric proteins at high purity. The results of the molecular docking revealed that negatively charged residues interact electrostatically with magnesium ions (Mg