8OO2

ChdA complex with amido-chelocardin

8OO2 の概要

• エントリーDOI: 10.2210/pdb8oo2/pdb
• 分子名称: Putative transcriptional regulator, 2-carboxamido-2-deacetyl-chelocardin, MAGNESIUM ION, ... (4 entities in total)
• 機能のキーワード: chda complex with amido-chelocardin, tet-r family like regulator, atypical tetracycline, transcription
• 由来する生物種: Amycolatopsis sulphurea
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 42875.49

構造登録者

Koehnke, J.,Sikandar, A. (登録日: 2023-04-04, 公開日: 2023-08-02, 最終更新日: 2023-10-04)

主引用文献

Sikandar, A.,Popoff, A.,Jumde, R.P.,Mandi, A.,Kaur, A.,Elgaher, W.A.M.,Rosenberger, L.,Huttel, S.,Jansen, R.,Hunter, M.,Kohnke, J.,Hirsch, A.K.H.,Kurtan, T.,Muller, R.
Revision of the Absolute Configurations of Chelocardin and Amidochelocardin.
Angew.Chem.Int.Ed.Engl., 62:e202306437-e202306437, 2023

PubMed Abstract: Even 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.

PubMed: 37466921
DOI: 10.1002/anie.202306437

実験手法

X-RAY DIFFRACTION (1.85 Å)