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Interactive nmr and computer simulation studies of lanthionine-ring structures

✍ Scribed by D. E. Palmer; D. F. Mierke; C. Pattaroni; M. Goodman; T. Wakamiya; K. Fukase; M. Kitazawa; H. Fujita; T. Shiba

Publisher
Wiley (John Wiley & Sons)
Year
1989
Tongue
English
Weight
492 KB
Volume
28
Category
Article
ISSN
0006-3525

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✦ Synopsis

We report progress in elucidating the structure of nisin, a naturally occurring peptide antibiotic. Ninin contains five rings constrained by lanthionine or methyllanthionine bridges, as well as a,/3-unsaturated amino acids. We have determined conformations for two model compounds of ring A and a derivative of ring B through interactive nmr and computer simulation studies. High-resolution nmr techniques provides structural information, which was further refined through molecular dynamics simulations. These methods are being applied to the remeing constrained fragments of the molecule. This conformational information w i l l be employed in an aufbau approach to determining the structure of the entire molecule.

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