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New page: left|200px<br /><applet load="1mmf" size="450" color="white" frame="true" align="right" spinBox="true" caption="1mmf, resolution 2.5Å" /> '''Crystal structure of ...
 
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[[Image:1mmf.gif|left|200px]]<br /><applet load="1mmf" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1mmf, resolution 2.5&Aring;" />
'''Crystal structure of substrate free form of glycerol dehydratase'''<br />


==Overview==
==Crystal structure of substrate free form of glycerol dehydratase==
Glycerol dehydratase (GDH) and diol dehydratase (DDH) are highly, homologous isofunctional enzymes that catalyze the elimination of water, from glycerol and 1,2-propanediol (1,2-PD) to the corresponding aldehyde, via a coenzyme B(12)-dependent radical mechanism. The crystal structure of, substrate free form of GDH in complex with cobalamin and K(+) has been, determined at 2.5 A resolution. Its overall fold and the subunit assembly, closely resemble those of DDH. Comparison of this structure and the DDH, structure, available only in substrate bound form, shows the expected, change of the coordination of the essential K(+) from hexacoordinate to, heptacoordinate with the displacement of a single coordinated water by the, substrate diol. In addition, there appears to be an increase in the, rigidity of the K(+) coordination (as measured by lower B values) upon the, binding of the substrate. Structural analysis of the locations of, conserved residues among various GDH and DDH sequences has aided in, identification of residues potentially important for substrate preference, or specificity of protein-protein interactions.
<StructureSection load='1mmf' size='340' side='right'caption='[[1mmf]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1mmf]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae Klebsiella pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MMF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1MMF FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.5&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1mmf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mmf OCA], [https://pdbe.org/1mmf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1mmf RCSB], [https://www.ebi.ac.uk/pdbsum/1mmf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1mmf ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/O08505_KLEPN O08505_KLEPN]
== 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/mm/1mmf_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=1mmf ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Glycerol dehydratase (GDH) and diol dehydratase (DDH) are highly homologous isofunctional enzymes that catalyze the elimination of water from glycerol and 1,2-propanediol (1,2-PD) to the corresponding aldehyde via a coenzyme B(12)-dependent radical mechanism. The crystal structure of substrate free form of GDH in complex with cobalamin and K(+) has been determined at 2.5 A resolution. Its overall fold and the subunit assembly closely resemble those of DDH. Comparison of this structure and the DDH structure, available only in substrate bound form, shows the expected change of the coordination of the essential K(+) from hexacoordinate to heptacoordinate with the displacement of a single coordinated water by the substrate diol. In addition, there appears to be an increase in the rigidity of the K(+) coordination (as measured by lower B values) upon the binding of the substrate. Structural analysis of the locations of conserved residues among various GDH and DDH sequences has aided in identification of residues potentially important for substrate preference or specificity of protein-protein interactions.


==About this Structure==
Crystal structure of substrate free form of glycerol dehydratase.,Liao DI, Dotson G, Turner I Jr, Reiss L, Emptage M J Inorg Biochem. 2003 Jan 1;93(1-2):84-91. PMID:12538056<ref>PMID:12538056</ref>
1MMF is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Klebsiella_pneumoniae Klebsiella pneumoniae] with K and B12 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Glycerol_dehydratase Glycerol dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.30 4.2.1.30] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1MMF OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Crystal structure of substrate free form of glycerol dehydratase., Liao DI, Dotson G, Turner I Jr, Reiss L, Emptage M, J Inorg Biochem. 2003 Jan 1;93(1-2):84-91. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12538056 12538056]
</div>
[[Category: Glycerol dehydratase]]
<div class="pdbe-citations 1mmf" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Klebsiella pneumoniae]]
[[Category: Klebsiella pneumoniae]]
[[Category: Protein complex]]
[[Category: Large Structures]]
[[Category: Dotson, G.]]
[[Category: Dotson G]]
[[Category: Emptage, M.]]
[[Category: Emptage M]]
[[Category: Liao, D.I.]]
[[Category: Liao DI]]
[[Category: Reiss, L.]]
[[Category: Reiss L]]
[[Category: Turner, I.]]
[[Category: Turner I]]
[[Category: B12]]
[[Category: K]]
[[Category: coenzyme b12]]
[[Category: diol dehydratase]]
[[Category: glycerol dehydratase]]
[[Category: tim barrel]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 04:20:36 2007''

Latest revision as of 06:39, 13 August 2026

Crystal structure of substrate free form of glycerol dehydratase

1mmf, resolution 2.50Å

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