6q8d: Difference between revisions

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New page: '''Unreleased structure''' The entry 6q8d is ON HOLD until Paper Publication Authors: Baeriswyl, S., Stocker, A., Reymond, J.-L. Description: Structure of Fucosylated D-antimicrobial p...
 
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'''Unreleased structure'''


The entry 6q8d is ON HOLD  until Paper Publication
==Structure of Fucosylated D-antimicrobial peptide SB15 in complex with the Fucose-binding lectin PA-IIL at 1.630 Angstrom resolution==
<StructureSection load='6q8d' size='340' side='right'caption='[[6q8d]], [[Resolution|resolution]] 1.63&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6q8d]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Q8D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Q8D FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.63&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=DLE:D-LEUCINE'>DLE</scene>, <scene name='pdbligand=DLY:D-LYSINE'>DLY</scene>, <scene name='pdbligand=DTY:D-TYROSINE'>DTY</scene>, <scene name='pdbligand=ZDC:3,7-ANHYDRO-2,8-DIDEOXY-L-GLYCERO-D-GLUCO-OCTONIC+ACID'>ZDC</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=6q8d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6q8d OCA], [https://pdbe.org/6q8d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6q8d RCSB], [https://www.ebi.ac.uk/pdbsum/6q8d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6q8d ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q9HYN5_PSEAE Q9HYN5_PSEAE]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Herein, we report X-ray crystal structures of 11-13 residue antimicrobial peptides (AMPs) active against Pseudomonas aeruginosa as complexes of fucosylated d-enantiomeric sequences with the P. aeruginosa lectin LecB. These represent the first crystal structures of short AMPs. In 24 individual structures of eight different peptides, we found mostly alpha-helices assembled as two-helix or four-helix bundles with a hydrophobic core and cationic residues pointing outside. Two of the analogs formed an extended structure engaging in multiple contacts with the lectin. Molecular dynamics (MD) simulations showed that alpha-helices are stabilized by bundle formation and suggested that the N-terminal acyl group present in the linker to the fucosyl group can extend the helix by one additional H-bond and increase alpha-helix amphiphilicity. Investigating N-terminal acylation led to AMPs with equivalent and partly stronger antibacterial effects compared to the free peptide.


Authors: Baeriswyl, S., Stocker, A., Reymond, J.-L.
X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.,Baeriswyl S, Gan BH, Siriwardena TN, Visini R, Robadey M, Javor S, Stocker A, Darbre T, Reymond JL ACS Chem Biol. 2019 Mar 11. doi: 10.1021/acschembio.9b00047. PMID:30830745<ref>PMID:30830745</ref>


Description: Structure of Fucosylated D-antimicrobial peptide SB15 in complex with the Fucose-binding lectin PA-IIL at 1.630 Angstrom resolution
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Reymond, J.-L]]
<div class="pdbe-citations 6q8d" style="background-color:#fffaf0;"></div>
[[Category: Baeriswyl, S]]
== References ==
[[Category: Stocker, A]]
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Synthetic construct]]
[[Category: Baeriswyl S]]
[[Category: Reymond J-L]]
[[Category: Stocker A]]
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