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4b8u
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| - | [[ | + | ==Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N- isobutyl-2-(5-(2-thienyl)-1,2-oxazol-3-yl-)methoxy)acetamide== |
| + | <StructureSection load='4b8u' size='340' side='right' caption='[[4b8u]], [[Resolution|resolution]] 2.76Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4b8u]] is a 5 chain structure with sequence from [http://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=4B8U OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4B8U FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=IBK:N-ISOBUTYL-2-{[5-(THIOPHEN-2-YL)-1,2-OXAZOL-3-YL]METHOXY}ACETAMIDE'>IBK</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4b0b|4b0b]], [[4b0c|4b0c]], [[4b0i|4b0i]], [[4b0j|4b0j]], [[4fq9|4fq9]]</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-hydroxydecanoyl-[acyl-carrier-protein]_dehydratase 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.60 4.2.1.60] </span></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4b8u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4b8u OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4b8u RCSB], [http://www.ebi.ac.uk/pdbsum/4b8u PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Fatty acid biosynthesis is an essential component of metabolism in both eukaryotes and prokaryotes. The fatty acid biosynthetic pathway of Gram-negative bacteria is an established therapeutic target. Two homologous enzymes FabA and FabZ catalyze a key step in fatty acid biosynthesis; both dehydrate hydroxyacyl fatty acids that are coupled via a phosphopantetheine to an acyl carrier protein (ACP). The resulting trans-2-enoyl-ACP is further polymerized in a processive manner. FabA, however, carries out a second reaction involving isomerization of trans-2-enoyl fatty acid to cis-3-enoyl fatty acid. We have solved the structure of Pseudomonas aeruginosa FabA with a substrate allowing detailed molecular insight into the interactions of the active site. This has allowed a detailed examination of the factors governing the second catalytic step. We have also determined the structure of FabA in complex with small molecules (so-called fragments). These small molecules occupy distinct regions of the active site and form the basis for a rational inhibitor design program. | ||
| - | + | Structural Insights into the Mechanism and Inhibition of the beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.,Moynie L, Leckie SM, McMahon SA, Duthie FG, Koehnke A, Taylor JW, Alphey MS, Brenk R, Smith AD, Naismith JH J Mol Biol. 2013 Jan 23;425(2):365-77. doi: 10.1016/j.jmb.2012.11.017. Epub 2012 , Nov 19. PMID:23174186<ref>PMID:23174186</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| - | + | ==See Also== | |
| - | + | *[[Beta-hydroxyacyl-acyl carrier protein dehydratase|Beta-hydroxyacyl-acyl carrier protein dehydratase]] | |
| - | == | + | == References == |
| - | [[ | + | <references/> |
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Pseudomonas aeruginosa pao1]] | [[Category: Pseudomonas aeruginosa pao1]] | ||
| - | [[Category: Brenk, R | + | [[Category: Brenk, R]] |
| - | [[Category: Duthie, F G | + | [[Category: Duthie, F G]] |
| - | [[Category: Mcmahon, S A | + | [[Category: Mcmahon, S A]] |
| - | [[Category: Moynie, L | + | [[Category: Moynie, L]] |
| - | [[Category: Naismith, J H | + | [[Category: Naismith, J H]] |
[[Category: Bacterial virulence]] | [[Category: Bacterial virulence]] | ||
[[Category: Drug discovery]] | [[Category: Drug discovery]] | ||
Revision as of 16:46, 9 December 2014
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N- isobutyl-2-(5-(2-thienyl)-1,2-oxazol-3-yl-)methoxy)acetamide
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