1xt7 | pdb_00001xt7

Daptomycin NMR Structure

spinqualitylabelsall models 1xt7 Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 1xt7 is a 1 chain structure with sequence from Streptomyces filamentosus. Full experimental information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: Solution NMR, 1 model Ligands: DAL, DKA, DSG, DSN, KYN, LME, ORN Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Daptomycin is an acidic lipopeptide antibiotic, whose three-dimensional structure and mechanism of action is currently unknown. Recently daptomycin, trade name Cubicin, was approved as a drug for the treatment of skin-related infections (M. Larkin Lancet, 2003, 3, 677) and became the first antibiotic of its class to be used in the clinic (A. Raja et al., Nature Rev. Drug Discov., 2003, 2, 943-944). We have carried out a systematic high field NMR study of daptomycin and its binding to calcium ions which is essential for antibiotic activity. In this first report, we demonstrate the sequence-specific resonance assignment of daptomycin under resolved NMR measurement conditions. In addition to this, we have determined the 3D structure of apo-daptomycin and demonstrated a 1 : 1 stoichiometry on the binding to calcium ions. We have also demonstrated that the binding of calcium ions does not result in major conformational changes, but does induce aggregation. This may be an important factor in the mode of action of daptomycin. NMR structure determination and calcium binding effects of lipopeptide antibiotic daptomycin.,Ball LJ, Goult CM, Donarski JA, Micklefield J, Ramesh V Org Biomol Chem. 2004 Jul 7;2(13):1872-8. Epub 2004 Jun 15. PMID:15227539 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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