7D78

The structure of thioesterase DcsB

Summary for 7D78

Entry DOI	10.2210/pdb7d78/pdb
Descriptor	DltD domain-containing protein, SODIUM ION, GLYCEROL, ... (6 entities in total)
Functional Keywords	thioesterase, polyketides, lactones, hydrolase
Biological source	Beauveria bassiana (strain ARSEF 2860) (White muscardine disease fungus)
Total number of polymer chains	2
Total formula weight	70778.77
Authors	Tang, Y.,Zhou, J.H.,Wang, G.Q. (deposition date: 2020-10-03, release date: 2021-01-27, Last modification date: 2024-03-27)
Primary citation	Gao, D.W.,Jamieson, C.S.,Wang, G.,Yan, Y.,Zhou, J.,Houk, K.N.,Tang, Y. A Polyketide Cyclase That Forms Medium-Ring Lactones. J.Am.Chem.Soc., 143:80-84, 2021 Cited by PubMed Abstract: Medium-ring lactones are synthetically challenging due to unfavorable energetics involved in cyclization. We have discovered a thioesterase enzyme DcsB, from the decarestrictine C1 () biosynthetic pathway, that efficiently performs medium-ring lactonizations. DcsB shows broad substrate promiscuity toward linear substrates that vary in lengths and substituents, and is a potential biocatalyst for lactonization. X-ray crystal structure and computational analyses provide insights into the molecular basis of catalysis. PubMed: 33351624 DOI: 10.1021/jacs.0c11226 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.96543121965 Å)

Structure validation