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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==
==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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<StructureSection load='4b8u' size='340' side='right' caption='[[4b8u]], [[Resolution|resolution]] 2.76&Aring;' scene=''>
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<StructureSection load='4b8u' size='340' side='right'caption='[[4b8u]], [[Resolution|resolution]] 2.76&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4b8u]] is a 5 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseae Pseae]. 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>
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<table><tr><td colspan='2'>[[4b8u]] is a 5 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=4B8U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4B8U FirstGlance]. <br>
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</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>
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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]] 2.76&#8491;</td></tr>
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<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>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-hydroxyacyl-[acyl-carrier-protein]_dehydratase 3-hydroxyacyl-[acyl-carrier-protein] dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.59 4.2.1.59] </span></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=4b8u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4b8u OCA], [https://pdbe.org/4b8u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4b8u RCSB], [https://www.ebi.ac.uk/pdbsum/4b8u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4b8u ProSAT]</span></td></tr>
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<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://pdbe.org/4b8u PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4b8u RCSB], [http://www.ebi.ac.uk/pdbsum/4b8u PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4b8u ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/FABA_PSEAE FABA_PSEAE]] Necessary for the introduction of cis unsaturation into fatty acids. Catalyzes the dehydration of (3R)-3-hydroxydecanoyl-ACP to E-(2)-decenoyl-ACP and then its isomerization to Z-(3)-decenoyl-ACP. Can catalyze the dehydratase reaction for beta-hydroxyacyl-ACPs with saturated chain lengths up to 16:0, being most active on intermediate chain length (By similarity).
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[https://www.uniprot.org/uniprot/FABA_PSEAE FABA_PSEAE] Necessary for the introduction of cis unsaturation into fatty acids. Catalyzes the dehydration of (3R)-3-hydroxydecanoyl-ACP to E-(2)-decenoyl-ACP and then its isomerization to Z-(3)-decenoyl-ACP. Can catalyze the dehydratase reaction for beta-hydroxyacyl-ACPs with saturated chain lengths up to 16:0, being most active on intermediate chain length (By similarity).
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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==See Also==
==See Also==
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*[[Beta-hydroxyacyl-acyl carrier protein dehydratase|Beta-hydroxyacyl-acyl carrier protein dehydratase]]
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*[[Beta-hydroxyacyl-acyl carrier protein dehydratase 3D structures|Beta-hydroxyacyl-acyl carrier protein dehydratase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Pseae]]
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[[Category: Large Structures]]
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[[Category: Brenk, R]]
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[[Category: Pseudomonas aeruginosa PAO1]]
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[[Category: Duthie, F G]]
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[[Category: Brenk R]]
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[[Category: Mcmahon, S A]]
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[[Category: Duthie FG]]
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[[Category: Moynie, L]]
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[[Category: McMahon SA]]
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[[Category: Naismith, J H]]
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[[Category: Moynie L]]
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[[Category: Bacterial virulence]]
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[[Category: Naismith JH]]
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[[Category: Drug discovery]]
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[[Category: Fatty acid biosynthesis]]
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[[Category: Inhibitor]]
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[[Category: Lyase]]
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Current revision

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

PDB ID 4b8u

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