7W6E

Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with 6-heptylresorcylic acid

Summary for 7W6E

Entry DOI	10.2210/pdb7w6e/pdb
Descriptor	Olivetolic acid cyclase, 2-heptyl-4,6-bis(oxidanyl)benzoic acid (3 entities in total)
Functional Keywords	olivetolic acid cyclase, polypeptide cyclase, lyase
Biological source	Cannabis sativa
Total number of polymer chains	2
Total formula weight	24896.60
Authors	Nakashima, Y.,Lee, Y.E.,Morita, H. (deposition date: 2021-12-01, release date: 2022-02-02, Last modification date: 2023-11-29)
Primary citation	Lee, Y.E.,Nakashima, Y.,Kodama, T.,Chen, X.,Morita, H. Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs. Org.Lett., 24:410-414, 2022 Cited by PubMed Abstract: The therapeutic effects of Δ-tetrahydrocannabinol (Δ-THC) can be enhanced by modifications of the pentyl moiety at C-3. The engineering of olivetolic acid cyclase and tetraketide synthase with F24I and L190G substitutions, respectively, in the biosynthesis of Δ-THC serves as a platform for the generation of resorcylic acids up to 6-undecylresorcylic acid. These results provide insights into the development of THC analogs with chemically distinct acyl moieties at C-3. PubMed: 34939812 DOI: 10.1021/acs.orglett.1c04089 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.38 Å)

Structure validation