8GR7

Cop4 from Antrodia cinnamomea in complex with pyrophosphate and magnesium

Summary for 8GR7

• Entry DOI: 10.2210/pdb8gr7/pdb
• Descriptor: AcCop4, MAGNESIUM ION, PYROPHOSPHATE, ... (5 entities in total)
• Functional Keywords: terpenoid, cubebol, lyase
• Biological source: Antrodia cinnamomea
• Total number of polymer chains: 2
• Total formula weight: 79698.93

Authors

Chen, S.C.,Hsu, C.H. (deposition date: 2022-09-01, release date: 2023-09-06, Last modification date: 2023-09-20)

Primary citation

Chen, S.C.,Jiang, B.C.,Lu, Y.J.,Chang, C.H.,Wu, T.H.,Lin, S.W.,Yin, H.W.,Lee, T.H.,Hsu, C.H.
Characterization and Crystal Structures of a Cubebol-Producing Sesquiterpene Synthase from Antrodia cinnamomea .
J.Agric.Food Chem., 71:13014-13023, 2023

PubMed Abstract: is an endemic species found in Taiwan, known for its medicinal properties in treating various discomforts, including inflammation, diarrhea, abdominal pain, and other diseases. contains terpenoids that exhibit numerous bioactivities, making them potential food additives. This discovery piqued our interest in uncovering their biosynthetic pathway. Herein, we conducted functional and structural characterization of a sesquiterpene synthase Cop4 from (AcCop4). Through gas chromatography-mass spectrometry analysis, we observed that AcCop4 catalyzes the cyclization of farnesyl pyrophosphate (FPP), primarily producing cubebol. Cubebol is widely used as a long-lasting cooling and refreshing agent in the food industry. The structure of AcCop4, complexed with pyrophosphate and magnesium ions, revealed the closure of the active site facilitated by R311. Interestingly, binding of pyrophosphate and magnesium ions did not cause any significant conformational change in the G1/2 helix of AcCop4, indicating that the apo form is not fully open. This high-resolution structure serves as a solid basis for understanding the biosynthetic mechanism of AcCop4 and supports further production and modification of cubebol for its applications in the food industry.

PubMed: 37566786
DOI: 10.1021/acs.jafc.3c00570

Experimental method

X-RAY DIFFRACTION (1.9 Å)