View source for 4cpb


==CRYSTAL STRUCTURE OF LECA IN COMPLEX WITH A DIVALENT GALACTOSIDE AT 1. 57 ANGSTROM IN MAGNESIUM==
<StructureSection load='4cpb' size='340' side='right'caption='[[4cpb]], [[Resolution|resolution]] 1.57&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4cpb]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PAO1 Pseudomonas aeruginosa PAO1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4CPB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4CPB 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]] 1.57&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2PE:NONAETHYLENE+GLYCOL'>2PE</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=CN8:(4S)-N-ETHYL-4-{[N-METHYL-3-(1-{2-[(4-SULFANYLBENZOYL)AMINO]ETHYL}-1H-1,2,3-TRIAZOL-4-YL)-L-ALANYL]AMINO}-L-PROLINAMIDE'>CN8</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GAL:BETA-D-GALACTOSE'>GAL</scene>, <scene name='pdbligand=OCS:CYSTEINESULFONIC+ACID'>OCS</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=TRO:2-HYDROXY-TRYPTOPHAN'>TRO</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=4cpb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cpb OCA], [https://pdbe.org/4cpb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4cpb RCSB], [https://www.ebi.ac.uk/pdbsum/4cpb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4cpb ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/PA1L_PSEAE PA1L_PSEAE] D-galactose specific lectin. Binds in decreasing order of affinity: melibiose, methyl-alpha-D-galactoside, D-galactose, methyl-beta-D-galactoside, N-acetyl-D-galactosamine. Similar to plant lectins in its selective (carbohydrate-specific) hemagglutinating activity.
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Lectin LecA is a virulence factor of Pseudomonas aeruginosa involved in lung injury, mortality, and cellular invasion. Ligands competing with human glycoconjugates for LecA binding are thus promising candidates to counteract P. aeruginosa infections. We have identified a novel divalent ligand from a focused galactoside(Gal)-conjugate array which binds to LecA with very high affinity (Kd = 82 nM). Crystal structures of LecA complexed with the ligand together with modeling studies confirmed its ability to chelate two binding sites of LecA. The ligand lowers cellular invasiveness of P. aeruginosa up to 90 % when applied in the range of 0.05-5 muM. Hence, this ligand might lead to the development of drugs against P. aeruginosa infection.

A LecA ligand identified from a galactoside-conjugate array inhibits host cell invasion by Pseudomonas aeruginosa.,Novoa A, Eierhoff T, Topin J, Varrot A, Barluenga S, Imberty A, Romer W, Winssinger N Angew Chem Int Ed Engl. 2014 Aug 18;53(34):8885-9. doi: 10.1002/anie.201402831., Epub 2014 Jul 7. PMID:25044671<ref>PMID:25044671</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4cpb" style="background-color:#fffaf0;"></div>

==See Also==
*[[Galactose-binding lectin|Galactose-binding lectin]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas aeruginosa PAO1]]
[[Category: Imberty A]]
[[Category: Topin J]]
[[Category: Varrot A]]
[[Category: Wissinger N]]