8oo2
ChdA complex with amido-chelocardinChdA complex with amido-chelocardin
Structural highlights
FunctionV9XTV0_9PSEU TetR is the repressor of the tetracycline resistance element; its N-terminal region forms a helix-turn-helix structure and binds DNA. Binding of tetracycline to TetR reduces the repressor affinity for the tetracycline resistance gene (tetA) promoter operator sites.[ARBA:ARBA00002856] Publication Abstract from PubMedEven with the aid of the available methods, the configurational assignment of natural products can be a challenging task that is prone to errors, and it sometimes needs to be corrected after total synthesis or single-crystal X-ray diffraction (XRD) analysis. Herein, the absolute configuration of amidochelocardin is revised using a combination of XRD, NMR spectroscopy, experimental ECD spectra, and time-dependent density-functional theory (TDDFT)-ECD calculations. As amidochelocardin was obtained via biosynthetic engineering of chelocardin, we propose the same absolute configuration for chelocardin based on the similar biosynthetic origins of the two compounds and result of TDDFT-ECD calculations. The evaluation of spectral data of two closely related analogues, 6-desmethyl-chelocardin and its semisynthetic derivative 1, also supports this conclusion. Revision of the Absolute Configurations of Chelocardin and Amidochelocardin.,Sikandar A, Popoff A, Jumde RP, Mandi A, Kaur A, Elgaher WAM, Rosenberger L, Huttel S, Jansen R, Hunter M, Kohnke J, Hirsch AKH, Kurtan T, Muller R Angew Chem Int Ed Engl. 2023 Jul 19:e202306437. doi: 10.1002/anie.202306437. PMID:37466921[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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