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1mj3

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(New page: 200px<br /><applet load="1mj3" size="450" color="white" frame="true" align="right" spinBox="true" caption="1mj3, resolution 2.1&Aring;" /> '''Crystal Structure Ana...)
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[[Image:1mj3.jpg|left|200px]]<br /><applet load="1mj3" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1mj3, resolution 2.1&Aring;" />
 
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'''Crystal Structure Analysis of rat enoyl-CoA hydratase in complex with hexadienoyl-CoA'''<br />
 
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==Overview==
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==Crystal Structure Analysis of rat enoyl-CoA hydratase in complex with hexadienoyl-CoA==
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Enoyl-CoA hydratase catalyzes the hydration of trans-2-crotonyl-CoA to, 3(S)- and 3(R)-hydroxybutyryl-CoA with a stereoselectivity (3(S)/3(R)) of, 400,000 to 1. Importantly, Raman spectroscopy reveals that both the s-cis, and s-trans conformers of the substrate analog hexadienoyl-CoA are bound, to the enzyme, but that only the s-cis conformer is polarized. This, selective polarization is an example of ground state strain, indicating, the existence of catalytically relevant ground state destabilization, arising from the selective complementarity of the enzyme toward the, transition state rather than the ground state. Consequently, the, stereoselectivity of the enzyme-catalyzed reaction results from the, selective activation of one of two bound substrate conformers rather than, from selective binding of a single conformer. These findings have, important implications for inhibitor design and the role of ground state, interactions in enzyme catalysis.
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<StructureSection load='1mj3' size='340' side='right'caption='[[1mj3]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1mj3]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MJ3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1MJ3 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]] 2.1&#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=HXC:HEXANOYL-COENZYME+A'>HXC</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=1mj3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mj3 OCA], [https://pdbe.org/1mj3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1mj3 RCSB], [https://www.ebi.ac.uk/pdbsum/1mj3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1mj3 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ECHM_RAT ECHM_RAT] Straight-chain enoyl-CoA thioesters from C4 up to at least C16 are processed, although with decreasing catalytic rate.
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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/mj/1mj3_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=1mj3 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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1MJ3 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus] with HXC as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Enoyl-CoA_hydratase Enoyl-CoA hydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.17 4.2.1.17] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1MJ3 OCA].
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*[[Enoyl-CoA hydratase|Enoyl-CoA hydratase]]
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*[[Enoyl-CoA hydratase 3D structures|Enoyl-CoA hydratase 3D structures]]
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==Reference==
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__TOC__
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Stereoselectivity of enoyl-CoA hydratase results from preferential activation of one of two bound substrate conformers., Bell AF, Feng Y, Hofstein HA, Parikh S, Wu J, Rudolph MJ, Kisker C, Whitty A, Tonge PJ, Chem Biol. 2002 Nov;9(11):1247-55. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12445775 12445775]
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</StructureSection>
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[[Category: Enoyl-CoA hydratase]]
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[[Category: Large Structures]]
[[Category: Rattus norvegicus]]
[[Category: Rattus norvegicus]]
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[[Category: Single protein]]
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[[Category: Bell AF]]
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[[Category: Bell, A.F.]]
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[[Category: Feng Y]]
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[[Category: Feng, Y.]]
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[[Category: Hofstein HA]]
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[[Category: Hofstein, H.A.]]
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[[Category: Kisker C]]
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[[Category: Kisker, C.]]
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[[Category: Parikh S]]
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[[Category: Parikh, S.]]
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[[Category: Rudolph MJ]]
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[[Category: Rudolph, M.J.]]
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[[Category: Tonge PJ]]
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[[Category: Tonge, P.J.]]
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[[Category: Wu J]]
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[[Category: Wu, J.]]
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[[Category: HXC]]
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[[Category: homohexamer]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 21:26:56 2007''
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Current revision

Crystal Structure Analysis of rat enoyl-CoA hydratase in complex with hexadienoyl-CoA

PDB ID 1mj3

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