2ves

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(New page: 200px<br /><applet load="2ves" size="350" color="white" frame="true" align="right" spinBox="true" caption="2ves, resolution 1.90&Aring;" /> '''CRYSTAL STRUCTURE OF...)
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[[Image:2ves.jpg|left|200px]]<br /><applet load="2ves" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="2ves, resolution 1.90&Aring;" />
 
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'''CRYSTAL STRUCTURE OF LPXC FROM PSEUDOMONAS AERUGINOSA COMPLEXED WITH THE POTENT BB-78485 INHIBITOR'''<br />
 
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==About this Structure==
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==Crystal Structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor==
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2VES is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa] with <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=SO4:'>SO4</scene> and <scene name='pdbligand=GVR:'>GVR</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Known structural/functional Sites: <scene name='pdbsite=AC1:Zn Binding Site For Chain A'>AC1</scene>, <scene name='pdbsite=AC2:Zn Binding Site For Chain B'>AC2</scene>, <scene name='pdbsite=AC3:Zn Binding Site For Chain C'>AC3</scene>, <scene name='pdbsite=AC4:Gvr Binding Site For Chain A'>AC4</scene>, <scene name='pdbsite=AC5:Gvr Binding Site For Chain B'>AC5</scene>, <scene name='pdbsite=AC6:Gvr Binding Site For Chain C'>AC6</scene>, <scene name='pdbsite=AC7:Zn Binding Site For Chain A'>AC7</scene>, <scene name='pdbsite=AC8:Zn Binding Site For Chain B'>AC8</scene>, <scene name='pdbsite=AC9:Zn Binding Site For Chain C'>AC9</scene>, <scene name='pdbsite=BC1:Zn Binding Site For Chain C'>BC1</scene>, <scene name='pdbsite=BC2:So4 Binding Site For Chain B'>BC2</scene> and <scene name='pdbsite=BC3:So4 Binding Site For Chain C'>BC3</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VES OCA].
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<StructureSection load='2ves' size='340' side='right'caption='[[2ves]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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[[Category: Pseudomonas aeruginosa]]
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== Structural highlights ==
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[[Category: Single protein]]
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<table><tr><td colspan='2'>[[2ves]] is a 3 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=2VES OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VES FirstGlance]. <br>
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[[Category: Knafels, J.]]
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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]] 1.9&#8491;</td></tr>
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[[Category: Mochalkin, I.]]
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GVR:(2R)-N-HYDROXY-3-NAPHTHALEN-2-YL-2-[(NAPHTHALEN-2-YLSULFONYL)AMINO]PROPANAMIDE'>GVR</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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[[Category: GVR]]
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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=2ves FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ves OCA], [https://pdbe.org/2ves PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ves RCSB], [https://www.ebi.ac.uk/pdbsum/2ves PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ves ProSAT]</span></td></tr>
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[[Category: SO4]]
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</table>
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[[Category: ZN]]
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== Function ==
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[[Category: antibiotics]]
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[https://www.uniprot.org/uniprot/LPXC_PSEAE LPXC_PSEAE] Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that anchors the lipopolysaccharide to the outer membrane of the cell.
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[[Category: bb-78485]]
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== Evolutionary Conservation ==
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[[Category: deacetylase]]
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[[Image:Consurf_key_small.gif|200px|right]]
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[[Category: gram-negative bacteria]]
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Check<jmol>
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[[Category: hydrolase]]
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<jmolCheckbox>
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[[Category: hydroxamic acid]]
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ve/2ves_consurf.spt"</scriptWhenChecked>
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[[Category: lipid a biosynthesis]]
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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[[Category: lipid synthesis]]
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<text>to colour the structure by Evolutionary Conservation</text>
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[[Category: lipopolysaccharide]]
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</jmolCheckbox>
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[[Category: lpxc]]
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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=2ves ConSurf].
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[[Category: metalloprotease]]
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The cell wall in Gram-negative bacteria is surrounded by an outer membrane comprised of charged lipopolysaccharide (LPS) molecules that prevent entry of hydrophobic agents into the cell and protect the bacterium from many antibiotics. The hydrophobic anchor of LPS is lipid A, the biosynthesis of which is essential for bacterial growth and viability. UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC) is an essential zinc-dependant enzyme that catalyzes the conversion of UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine to UDP-3-O-(R-3-hydroxymyristoyl)glucosamine and acetate in the biosynthesis of lipid A, and for this reason, LpxC is an attractive target for antibacterial drug discovery. Here we disclose a 1.9 A resolution crystal structure of LpxC from Pseudomonas aeruginosa (paLpxC) in a complex with the potent BB-78485 inhibitor. To our knowledge, this is the first crystal structure of LpxC with a small-molecule inhibitor that shows antibacterial activity against a wide range of Gram-negative pathogens. Accordingly, this structure can provide important information for lead optimization and rational design of the effective small-molecule LpxC inhibitors for successful treatment of Gram-negative infections.
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 11:10:16 2008''
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Crystal structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor.,Mochalkin I, Knafels JD, Lightle S Protein Sci. 2008 Mar;17(3):450-7. PMID:18287278<ref>PMID:18287278</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 2ves" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[UDP-3-O-acyl-N-acetylglucosamine deacetylase|UDP-3-O-acyl-N-acetylglucosamine deacetylase]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Pseudomonas aeruginosa PAO1]]
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[[Category: Knafels JD]]
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[[Category: Mochalkin I]]

Current revision

Crystal Structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor

PDB ID 2ves

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