1xt7: Difference between revisions
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==Daptomycin NMR Structure== | |||
<StructureSection load='1xt7' size='340' side='right'caption='[[1xt7]]' scene=''> | |||
| | == Structural highlights == | ||
| | <table><tr><td colspan='2'>[[1xt7]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_filamentosus Streptomyces filamentosus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XT7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1XT7 FirstGlance]. <br> | ||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR, 1 model</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=DKA:DECANOIC+ACID'>DKA</scene>, <scene name='pdbligand=DSG:D-ASPARAGINE'>DSG</scene>, <scene name='pdbligand=DSN:D-SERINE'>DSN</scene>, <scene name='pdbligand=KYN:(2S)-2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC+ACID'>KYN</scene>, <scene name='pdbligand=LME:(2S,3R)-2-AZANYL-3-METHYL-PENTANEDIOIC+ACID'>LME</scene>, <scene name='pdbligand=ORN:L-ORNITHINE'>ORN</scene></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1xt7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xt7 OCA], [https://pdbe.org/1xt7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1xt7 RCSB], [https://www.ebi.ac.uk/pdbsum/1xt7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1xt7 ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== 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. | 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<ref>PMID:15227539</ref> | |||
NMR structure determination and calcium binding effects of lipopeptide antibiotic daptomycin., Ball LJ, Goult CM, Donarski JA, Micklefield J, Ramesh V | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 1xt7" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Streptomyces filamentosus]] | |||
[[Category: Ball L-J]] | |||
[[Category: Donarski JA]] | |||
[[Category: Goult CM]] | |||
[[Category: Micklefield J]] | |||
[[Category: Ramesh V]] | |||
Latest revision as of 22:18, 26 March 2025
Daptomycin NMR Structure
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