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[[Image:1mj3.jpg|left|200px]]


{{Structure
==Crystal Structure Analysis of rat enoyl-CoA hydratase in complex with hexadienoyl-CoA==
|PDB= 1mj3 |SIZE=350|CAPTION= <scene name='initialview01'>1mj3</scene>, resolution 2.1&Aring;
<StructureSection load='1mj3' size='340' side='right'caption='[[1mj3]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
|SITE=  
== Structural highlights ==
|LIGAND= <scene name='pdbligand=HXC:HEXANOYL-COENZYME+A'>HXC</scene>
<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>
|ACTIVITY= <span class='plainlinks'>[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] </span>
</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>
|GENE=  
<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>
|DOMAIN=
<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>
|RELATEDENTRY=[[1dub|1DUB]], [[2dub|2DUB]], [[1ey3|1EY3]]
</table>
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1mj3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mj3 OCA], [http://www.ebi.ac.uk/pdbsum/1mj3 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1mj3 RCSB]</span>
== Function ==
}}
[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.
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/mj/1mj3_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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].
<div style="clear:both"></div>


'''Crystal Structure Analysis of rat enoyl-CoA hydratase in complex with hexadienoyl-CoA'''
==See Also==
 
*[[Enoyl-CoA hydratase|Enoyl-CoA hydratase]]
 
*[[Enoyl-CoA hydratase 3D structures|Enoyl-CoA hydratase 3D structures]]
==Overview==
__TOC__
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.
</StructureSection>
 
[[Category: Large Structures]]
==About this Structure==
1MJ3 is a [[Single protein]] structure of sequence from [http://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].
 
==Reference==
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://www.ncbi.nlm.nih.gov/pubmed/12445775 12445775]
[[Category: Enoyl-CoA hydratase]]
[[Category: Rattus norvegicus]]
[[Category: Rattus norvegicus]]
[[Category: Single protein]]
[[Category: Bell AF]]
[[Category: Bell, A F.]]
[[Category: Feng Y]]
[[Category: Feng, Y.]]
[[Category: Hofstein HA]]
[[Category: Hofstein, H A.]]
[[Category: Kisker C]]
[[Category: Kisker, C.]]
[[Category: Parikh S]]
[[Category: Parikh, S.]]
[[Category: Rudolph MJ]]
[[Category: Rudolph, M J.]]
[[Category: Tonge PJ]]
[[Category: Tonge, P J.]]
[[Category: Wu J]]
[[Category: Wu, J.]]
[[Category: homohexamer]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:16:43 2008''

Latest revision as of 10:44, 14 February 2024

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

Structural highlights

1mj3 is a 6 chain structure with sequence from Rattus norvegicus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.1Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

ECHM_RAT Straight-chain enoyl-CoA thioesters from C4 up to at least C16 are processed, although with decreasing catalytic rate.

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

1mj3, resolution 2.10Å

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