1H NMR study on the conformation of bacitracin A in aqueous solution

FEBS Letters

Kobayashi, Naohiro²  Endo, Satoshi¹  Takenouchi, Takato²  Munekata, Eisuke² 

[1] Tsukuba Research Laboratories, Takeda Chemical Industries Ltd. Tsukuba 305, Japan;Institute of Applied Biochemistry, University of Tsukuba Tsukuba 305, Japan

关键词: Bacitracin A;    1H NMR;    Energy minimization;    Molecular dynamics;    Three dimensional structure;    NOE;    nuclear Overhauser enhancement;    NOESY;    two-dimensional nuclear Overhauser enhancement spectroscopy;    ROESY;    rotating frame NOESY;    RMSD;    root mean square distance;   

DOI  :  10.1016/0014-5793(92)80874-G

学科分类：生物化学/生物物理

来源: John Wiley & Sons Ltd.

【 摘 要 】

The conformation of bacitracin A, a widely used cyclic dodecapeptide antibiotic in aqueous solution, has been investigated using 500 MHz ¹H NMR and molecular modeling. Findings revealed that a region (residues 1–6) is folded over the cyclic ring, resulting in metal coordination sites, a thiazoline ring, and Glu⁴ and His¹⁰ being proximate to each other.

【 授权许可】

Unknown