1p42

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(New page: 200px<br /><applet load="1p42" size="450" color="white" frame="true" align="right" spinBox="true" caption="1p42, resolution 2.00&Aring;" /> '''Crystal structure of...)
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[[Image:1p42.gif|left|200px]]<br /><applet load="1p42" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1p42, resolution 2.00&Aring;" />
 
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'''Crystal structure of Aquifex aeolicus LpxC Deacetylase (Zinc-Inhibited Form)'''<br />
 
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==Overview==
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==Crystal structure of Aquifex aeolicus LpxC Deacetylase (Zinc-Inhibited Form)==
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The outer leaflet of the outer membrane of the Gram-negative bacterium, serves as a permeability barrier and is composed of lipopolysaccharide, also known as endotoxin. The membrane anchor of lipopolysaccharide is, lipid A, the biosynthesis of which is essential for cell viability. The, first committed step in lipid A biosynthesis is catalyzed by, UDP-(3-O-(R-3-hydroxymyristoyl))-N-acetylglucosamine deacetylase (LpxC), a, zinc-dependent deacetylase. Here we report the crystal structure of LpxC, from Aquifex aeolicus, which reveals a new alpha+beta fold reflecting, primordial gene duplication and fusion, as well as a new zinc-binding, motif. The catalytic zinc ion resides at the base of an active-site cleft, and adjacent to a hydrophobic tunnel occupied by a fatty acid. This tunnel, accounts for the specificity of LpxC toward substrates and inhibitors, bearing appropriately positioned 3-O-fatty acid substituents. Notably, simple inhibitors designed to target interactions in the hydrophobic, tunnel bind with micromolar affinity, thereby representing a step toward, the structure-based design of a potent, broad-spectrum antibacterial drug.
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<StructureSection load='1p42' size='340' side='right'caption='[[1p42]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1p42]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aquifex_aeolicus Aquifex aeolicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1P42 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1P42 FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MYR:MYRISTIC+ACID'>MYR</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1p42 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1p42 OCA], [https://pdbe.org/1p42 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1p42 RCSB], [https://www.ebi.ac.uk/pdbsum/1p42 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1p42 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/LPXC_AQUAE LPXC_AQUAE] Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that anchors the lipopolysaccharide to the outer membrane of the cell (By similarity).
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/p4/1p42_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1p42 ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1P42 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Aquifex_aeolicus Aquifex aeolicus] with ZN and MYR as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1P42 OCA].
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*[[UDP-3-O-acyl-N-acetylglucosamine deacetylase|UDP-3-O-acyl-N-acetylglucosamine deacetylase]]
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__TOC__
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==Reference==
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</StructureSection>
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Crystal structure of LpxC, a zinc-dependent deacetylase essential for endotoxin biosynthesis., Whittington DA, Rusche KM, Shin H, Fierke CA, Christianson DW, Proc Natl Acad Sci U S A. 2003 Jul 8;100(14):8146-50. Epub 2003 Jun 20. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12819349 12819349]
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[[Category: Aquifex aeolicus]]
[[Category: Aquifex aeolicus]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Christianson, D.W.]]
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[[Category: Christianson DW]]
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[[Category: Fierke, C.A.]]
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[[Category: Fierke CA]]
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[[Category: Rusche, K.M.]]
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[[Category: Rusche KM]]
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[[Category: Shin, H.]]
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[[Category: Shin H]]
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[[Category: Whittington, D.A.]]
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[[Category: Whittington DA]]
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[[Category: MYR]]
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[[Category: ZN]]
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[[Category: alpha+beta fold]]
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[[Category: hydrophobic tunnel]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 23:27:27 2007''
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Current revision

Crystal structure of Aquifex aeolicus LpxC Deacetylase (Zinc-Inhibited Form)

PDB ID 1p42

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