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1u8v

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(New page: 200px<br /><applet load="1u8v" size="450" color="white" frame="true" align="right" spinBox="true" caption="1u8v, resolution 1.6&Aring;" /> '''Crystal Structure of ...)
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[[Image:1u8v.jpg|left|200px]]<br /><applet load="1u8v" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1u8v, resolution 1.6&Aring;" />
 
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'''Crystal Structure of 4-Hydroxybutyryl-CoA Dehydratase from Clostridium aminobutyricum: Radical catalysis involving a [4Fe-4S] cluster and flavin'''<br />
 
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==Overview==
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==Crystal Structure of 4-Hydroxybutyryl-CoA Dehydratase from Clostridium aminobutyricum: Radical catalysis involving a [4Fe-4S] cluster and flavin==
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Dehydratases catalyze the breakage of a carbon-oxygen bond leading to, unsaturated products via the elimination of water. The 1.6-A resolution, crystal structure of 4-hydroxybutyryl-CoA dehydratase from the, gamma-aminobutyrate-fermenting Clostridium aminobutyricum represents a new, class of dehydratases with an unprecedented active site architecture. A, [4Fe-4S](2+) cluster, coordinated by three cysteine and one histidine, residues, is located 7 A from the Re-side of a flavin adenine dinucleotide, (FAD) moiety. The structure provides insight into the function of these, ubiquitous prosthetic groups in the chemically nonfacile, radical-mediated, dehydration of 4-hydroxybutyryl-CoA. The substrate can be bound between, the [4Fe-4S](2+) cluster and the FAD with both cofactors contributing to, its radical activation and catalytic conversion. Our results raise, interesting questions regarding the mechanism of acyl-CoA dehydrogenases, which are involved in fatty acid oxidation, and address the divergent, evolution of the ancestral common gene.
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<StructureSection load='1u8v' size='340' side='right'caption='[[1u8v]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1u8v]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Clostridium_aminobutyricum Clostridium aminobutyricum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1U8V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1U8V FirstGlance]. <br>
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1U8V is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Clostridium_aminobutyricum Clostridium aminobutyricum] with SF4 and FAD as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1U8V OCA].
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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]] 1.6&#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=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene></td></tr>
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==Reference==
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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=1u8v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u8v OCA], [https://pdbe.org/1u8v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1u8v RCSB], [https://www.ebi.ac.uk/pdbsum/1u8v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1u8v ProSAT]</span></td></tr>
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Crystal structure of 4-hydroxybutyryl-CoA dehydratase: radical catalysis involving a [4Fe-4S] cluster and flavin., Martins BM, Dobbek H, Cinkaya I, Buckel W, Messerschmidt A, Proc Natl Acad Sci U S A. 2004 Nov 2;101(44):15645-9. Epub 2004 Oct 20. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15496473 15496473]
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/HDVD_CLOAM HDVD_CLOAM] Catalyzes the reversible conversion of 4-hydroxybutyryl-CoA to crotonyl-CoA. The mechanism of the reaction seems to go through three steps: (1) the FAD-dependent oxidation of 4-hydroxybutyryl-CoA to 4-hydroxycrotonyl-CoA; (2) the hydroxyl group is substituted by a hydride derived from the now reduced FAD in an SN2' reaction leading to vinylacetyl-CoA; (3) isomerization to yield crotonyl-CoA.
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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/u8/1u8v_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=1u8v ConSurf].
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<div style="clear:both"></div>
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__TOC__
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</StructureSection>
[[Category: Clostridium aminobutyricum]]
[[Category: Clostridium aminobutyricum]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Buckel, W.]]
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[[Category: Buckel W]]
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[[Category: Cinkaya, I.]]
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[[Category: Cinkaya I]]
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[[Category: Dobbek, H.]]
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[[Category: Dobbek H]]
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[[Category: Martins, B.M.]]
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[[Category: Martins BM]]
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[[Category: Messerschmidt, A.]]
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[[Category: Messerschmidt A]]
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[[Category: FAD]]
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[[Category: SF4]]
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[[Category: alfa-helixes]]
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[[Category: beta-strands]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 03:55:39 2007''
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Current revision

Crystal Structure of 4-Hydroxybutyryl-CoA Dehydratase from Clostridium aminobutyricum: Radical catalysis involving a [4Fe-4S] cluster and flavin

PDB ID 1u8v

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