4usm: Difference between revisions
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==WcbL complex with glycerol bound to sugar site== | |||
<StructureSection load='4usm' size='340' side='right'caption='[[4usm]], [[Resolution|resolution]] 1.82Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[4usm]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Burkholderia_pseudomallei_K96243 Burkholderia pseudomallei K96243]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4USM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4USM 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]] 1.82Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=4usm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4usm OCA], [https://pdbe.org/4usm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4usm RCSB], [https://www.ebi.ac.uk/pdbsum/4usm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4usm ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/H7C745_BURPS H7C745_BURPS] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Gram-negative bacteria utilize heptoses as part of their repertoire of extracellular polysaccharide virulence determinants. Disruption of heptose biosynthesis offers an attractive target for novel antimicrobials. A critical step in the synthesis of heptoses is their 1-O phosphorylation, mediated by kinases such as HldE or WcbL. Here, we present the structure of WcbL from Burkholderia pseudomallei. We report that WcbL operates through a sequential ordered Bi-Bi mechanism, loading the heptose first and then ATP. We show that dimeric WcbL binds ATP anti-cooperatively in the absence of heptose, and cooperatively in its presence. Modeling of WcbL suggests that heptose binding causes an elegant switch in the hydrogen-bonding network, facilitating the binding of a second ATP molecule. Finally, we screened a library of drug-like fragments, identifying hits that potently inhibit WcbL. Our results provide a novel mechanism for control of substrate binding and emphasize WcbL as an attractive anti-microbial target for Gram-negative bacteria. | |||
Unraveling the B. pseudomallei Heptokinase WcbL: From Structure to Drug Discovery.,Vivoli M, Isupov MN, Nicholas R, Hill A, Scott AE, Kosma P, Prior JL, Harmer NJ Chem Biol. 2015 Dec 17;22(12):1622-32. doi: 10.1016/j.chembiol.2015.10.015. PMID:26687481<ref>PMID:26687481</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 4usm" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Burkholderia pseudomallei K96243]] | |||
[[Category: Large Structures]] | |||
[[Category: Harmer NJ]] | |||
[[Category: Hill A]] | |||
[[Category: Isupov MN]] | |||
[[Category: Kosma P]] | |||
[[Category: Nicholas R]] | |||
[[Category: Prior J]] | |||
[[Category: Scott A]] | |||
[[Category: Vivoli M]] | |||
Latest revision as of 11:23, 9 May 2024
WcbL complex with glycerol bound to sugar site
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