1aj1 | pdb_00001aj1
NMR STRUCTURE OF THE LANTIBIOTIC ACTAGARDINE, 15 STRUCTURES
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Overview
The three-dimensional solution structure of the lantibiotic actagardine, was determined at high resolution by homonuclear and heteronuclear, two-dimensional and three-dimensional NMR spectroscopy in, [2H3]acetonitrile/H2O (7:3). 133 non-trivial distance and 22, torsional-angle constraints were derived from the NMR data. An ensemble of, 15 low-energy structures was calculated by distance geometry followed by, an iterative relaxation-matrix-refinement procedure. The rmsd of the, backbone coordinates with respect to the average structure was 17 pm. The, two distinct thioether ring systems 1-6 and 7-19 were even better defined, with backbone rmsd of 10 pm and 14 pm, respectively. Actagardine shows a, rigid compact globular shape based on the constraining bridging pattern, which is composed of ... [(full description)]
About this Structure
1AJ1 is a [Single protein] structure of sequence from [[1]]. Full crystallographic information is available from [OCA].
Reference
The three-dimensional solution structure of the lantibiotic murein-biosynthesis-inhibitor actagardine determined by NMR., Zimmermann N, Jung G, Eur J Biochem. 1997 Jun 15;246(3):809-19. PMID:9219543
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