View source for 3dcq


==LECB (PA-LII) in complex with the synthetic ligand 2G0==
<StructureSection load='3dcq' size='340' side='right'caption='[[3dcq]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3dcq]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DCQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DCQ 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]] 1.8&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2G0:(2S)-1-[(2S)-6-AMINO-2-({[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]ACETYL}AMINO)HEXANOYL]-N-[(1S)-1-CARBAMOYL-3-METHYLBUTYL]PYRROLIDINE-2-CARBOXAMIDE'>2G0</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</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=3dcq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dcq OCA], [https://pdbe.org/3dcq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3dcq RCSB], [https://www.ebi.ac.uk/pdbsum/3dcq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3dcq ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q9HYN5_PSEAE Q9HYN5_PSEAE] 
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/dc/3dcq_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3dcq ConSurf].
<div style="clear:both"></div>
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== Publication Abstract from PubMed ==
The human pathogenic bacterium Pseudomonas aeruginosa produces a fucose-specific lectin, LecB, implicated in tissue attachment and the formation of biofilms. To investigate if LecB inhibition disrupts these processes, high-affinity ligands were obtained by screening two 15,536-member combinatorial libraries of multivalent fucosyl-peptide dendrimers. The most potent LecB-ligands identified were dendrimers FD2 (C-Fuc-LysProLeu)(4)(LysPheLysIle)(2)LysHisIleNH(2) (IC(50) = 0.14 microM by ELLA) and PA8 (OFuc-LysAlaAsp)(4)(LysSerGlyAla)(2)LysHisIleNH(2) (IC(50) = 0.11 microM by ELLA). Dendrimer FD2 led to complete inhibition of P. aeruginosa biofilm formation (IC(50) approximately 10 microM) and induced complete dispersion of established biofilms in the wild-type strain and in several clinical P. aeruginosa isolates. These experiments suggest that LecB inhibition by high-affinity multivalent ligands could represent a therapeutic approach against P. aeruginosa infections by inhibition of biofilm formation and dispersion of established biofilms.

Inhibition and dispersion of Pseudomonas aeruginosa biofilms by glycopeptide dendrimers targeting the fucose-specific lectin LecB.,Johansson EM, Crusz SA, Kolomiets E, Buts L, Kadam RU, Cacciarini M, Bartels KM, Diggle SP, Camara M, Williams P, Loris R, Nativi C, Rosenau F, Jaeger KE, Darbre T, Reymond JL Chem Biol. 2008 Dec 22;15(12):1249-57. PMID:19101469<ref>PMID:19101469</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 3dcq" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Bartels KM]]
[[Category: Buts L]]
[[Category: Cacciarini M]]
[[Category: Camara M]]
[[Category: Crusz SA]]
[[Category: Darbre T]]
[[Category: Diggle SP]]
[[Category: Jaeger KE]]
[[Category: Johansson EM]]
[[Category: Kadam RU]]
[[Category: Kolomiets E]]
[[Category: Loris R]]
[[Category: Nativi C]]
[[Category: Reymond JL]]
[[Category: Rosenau F]]
[[Category: Williams P]]