2ih0

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NMR structure determination of a synthetic analogue of the iturinic antibiotic bacillomycin Lc

Overview

Iturins are a group of antifungal produced by Bacillus subtilis. All are, cyclic lipopeptides with seven alpha-amino acids of configuration LDDLLDL, and one beta-amino fatty acid. The bacillomycin L is a member of this, family and its NMR structure was previously resolved using the sequence, Asp-Tyr-Asn-Ser-Gln-Ser-Thr. In this work, we carefully examined the NMR, spectra of this compound and detected an error in the sequence. In fact, Asp1 and Gln5 need to be changed into Asn1 and Glu5, which therefore makes, it identical to bacillomycin Lc. As a consequence, it now appears that all, iturinic peptides with antibiotic activity share the common beta-amino, fatty acid 8-l-Asn1-d-Tyr2-d-Asn3 sequence. To better understand the, conformational influence of the acidic residue l-Asp1, present, for, example in the inactive iturin C, the NMR structure of the synthetic, analogue SCP [cyclo, (l-Asp1-d-Tyr2-d-Asn3-l-Ser4-l-Gln5-d-Ser6-l-Thr7-beta-Ala8)] was, determined and compared with bacillomycin Lc recalculated with the, corrected sequence. In both cases, the conformers obtained were separated, into two families of similar energy which essentially differ in the number, and type of turns. A detailed analysis of both cyclopeptide structures is, presented here. In addition, CD and FTIR spectra were performed and, confirmed the conformational differences observed by NMR between both, cyclopeptides.

About this Structure

2IH0 is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.

Reference

NMR structure determination of a synthetic analogue of bacillomycin Lc reveals the strategic role of l-Asn1 in the natural iturinic antibiotics., Volpon L, Tsan P, Majer Z, Vass E, Hollosi M, Noguera V, Lancelin JM, Besson F, Spectrochim Acta A Mol Biomol Spectrosc. 2007 Aug;67(5):1374-81. Epub 2006, Oct 19. PMID:17129757

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