2m7j: Difference between revisions
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New page: '''Unreleased structure''' The entry 2m7j is ON HOLD Authors: Moehle, K., Schmidt, J., Robinson, J. Description: Solution Structure of a Beta-Hairpin Peptidomimetic antibiotic that tar... |
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The | ==Solution Structure of a Beta-Hairpin Peptidomimetic antibiotic that target LptD in Pseudomonas sp.== | ||
<StructureSection load='2m7j' size='340' side='right'caption='[[2m7j]]' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[2m7j]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2M7J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2M7J FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR, 20 models</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DPR:D-PROLINE'>DPR</scene>, <scene name='pdbligand=PRD_001068:beta-Hairpin+Peptidomimetic+Antibiotic+TWLKKRRWKKAK(DPR)P'>PRD_001068</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=2m7j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2m7j OCA], [https://pdbe.org/2m7j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2m7j RCSB], [https://www.ebi.ac.uk/pdbsum/2m7j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2m7j ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
We report structural studies in aqueous solution on backbone cyclic peptides that possess potent antimicrobial activity specifically against Pseudomonas sp. The peptides target the beta-barrel outer membrane protein LptD, which plays an essential role in lipopolysaccharide transport to the outer membrane. The peptide L27-11 contains a 12-residue loop (T(1)W(2)L(3)K(4)K(5)R(6)R(7)W(8)K(9)K(10)A(11)K(12)) linked to a DPro-LPro template. Two related peptides were also studied, one with various Lys to ornithine or diaminobutyric acid substitutions as well as a DLys(6) (called LB-01), and another containing the same loop sequence, but linked to an LPro-DPro template (called LB-02). NMR studies and MD simulations show that L27-11 and LB-01 adopt beta-hairpin structures in solution. In contrast, LB-02 is more flexible and importantly, adopts a wide variety of different backbone conformations, but not beta-hairpin conformations. L27-11 and LB-01 show antimicrobial activity in the nanomolar range against Pseudomonas aeruginosa, whereas LB-02 is essentially inactive. Thus the beta-hairpin structure of the peptide is important for antimicrobial activity. An alanine scan of L27-11 revealed that tryptophan side chains (W(2)/W(8)) displayed on opposite faces of the beta-hairpin represent key groups contributing to antimicrobial activity. | |||
Structural studies of beta-hairpin peptidomimetic antibiotics that target LptD in Pseudomonas sp.,Schmidt J, Patora-Komisarska K, Moehle K, Obrecht D, Robinson JA Bioorg Med Chem. 2013 Sep 15;21(18):5806-10. doi: 10.1016/j.bmc.2013.07.013. Epub, 2013 Jul 17. PMID:23932450<ref>PMID:23932450</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 2m7j" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Moehle K]] | |||
[[Category: Robinson J]] | |||
[[Category: Schmidt J]] | |||
Latest revision as of 05:21, 17 October 2024
Solution Structure of a Beta-Hairpin Peptidomimetic antibiotic that target LptD in Pseudomonas sp.
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