8OO2
ChdA complex with amido-chelocardin
Summary for 8OO2
| Entry DOI | 10.2210/pdb8oo2/pdb |
| Descriptor | Putative transcriptional regulator, 2-carboxamido-2-deacetyl-chelocardin, MAGNESIUM ION, ... (4 entities in total) |
| Functional Keywords | chda complex with amido-chelocardin, tet-r family like regulator, atypical tetracycline, transcription |
| Biological source | Amycolatopsis sulphurea |
| Total number of polymer chains | 2 |
| Total formula weight | 42875.49 |
| Authors | Koehnke, J.,Sikandar, A. (deposition date: 2023-04-04, release date: 2023-08-02, Last modification date: 2023-10-04) |
| Primary citation | 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 Cited by 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: 37466921DOI: 10.1002/anie.202306437 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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