Solution Conformation of Lysocellin-Na +; More Than a Simple Structural Analog of Lasalocid-Na+
✍ Scribed by Marc J. O. Anteunis
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 566 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0037-9646
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✦ Synopsis
Abstract
Although the covalent structure of Lysocellin (1) differs from Lasalocid (2) at both ends of the molecule, nevertheless the atomic coordinates are such that common ligands [0^θ^ ‐1, OH‐5, C=0‐6 and OH‐10 in 1] lie in a square planar arrangement around the trapped central metal cation. Water of crystallization was present and may serve as an additional ligand. The complete structural architecture of 1 in solution has been unraveled by 2H‐nmr spectroscopy and allows a precise description (Figure 4) and comparison with 2 as previously reported^2^. A hydrophilic zone at one side of the flat molecule, which could be more or less accessible for polar interactions, is formed by 0‐2, OH‐3, 0‐7, OH‐8 and OH‐10. The outside periphery is screened by a crown consisting predominently of alkyl side chains attached to the back‐bone.