9t3o: Difference between revisions
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==Solution structure of thanatin in complex with LptDm== | |||
<StructureSection load='9t3o' size='340' side='right'caption='[[9t3o]]' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[9t3o]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] and [https://en.wikipedia.org/wiki/Podisus_maculiventris Podisus maculiventris]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9T3O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9T3O FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR, models</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=9t3o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9t3o OCA], [https://pdbe.org/9t3o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9t3o RCSB], [https://www.ebi.ac.uk/pdbsum/9t3o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9t3o ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/LPTD_ECOLI LPTD_ECOLI] Together with LptE, is involved in the assembly of lipopolysaccharide (LPS) at the surface of the outer membrane. Contributes to n-hexane resistance.[HAMAP-Rule:MF_01411]<ref>PMID:12207697</ref> <ref>PMID:12724388</ref> <ref>PMID:16861298</ref> <ref>PMID:18424520</ref> <ref>PMID:20203010</ref> <ref>PMID:21339611</ref> <ref>PMID:2547691</ref> <ref>PMID:7811102</ref> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Lipopolysaccharides (LPS) are the principal chemical component of the outer leaflet of Gram-negative bacteria and constitute the first barrier of defense against foreign molecules. Inhibition of LPS transport presents a novel concept for antibiotic discovery, and components of the transport bridge are targets of antimicrobial peptides. LptD, a beta-barrel outer membrane protein, the terminal module of the Lpt transport bridge, however, remains largely unexplored as a drug target as its biosynthesis is complicated and screens against membrane proteins are challenging. Herein, we report a computationally designed, soluble E. coli LptD periplasmic epitope mimic, LptDm. We describe an efficient in silico design pipeline that includes verification of interactions of LptD mimics with the cognate ligands LptA and thanatin using nuclear magnetic resonance (NMR) and size-exclusions chromatography (SEC) techniques. A small peptide library demonstrates that LptDm allows for selection of high-affinity binders against LptD, rendering LptD accessible to modern drug discovery approaches. | |||
Computational design of a soluble mimic of the outer membrane LPS transport protein LptD suitable for screening of antibiotics.,Dai W, Hu W, Schuster M, Rozic L, Roschitzki B, Zerbe O Protein Sci. 2026 Jun;35(6):e70626. doi: 10.1002/pro.70626. PMID:42144870<ref>PMID:42144870</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 9t3o" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Escherichia coli]] | |||
[[Category: Large Structures]] | |||
[[Category: Podisus maculiventris]] | |||
[[Category: Schuster M]] | |||
[[Category: Zerbe O]] | |||
Latest revision as of 04:52, 24 June 2026
Solution structure of thanatin in complex with LptDm
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