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5i2a

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==1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity==
==1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity==
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<StructureSection load='5i2a' size='340' side='right' caption='[[5i2a]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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<StructureSection load='5i2a' size='340' side='right'caption='[[5i2a]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5i2a]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5I2A OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5I2A FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5i2a]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Roseburia_inulinivorans Roseburia inulinivorans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5I2A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5I2A 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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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]] 2.1&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5i2g|5i2g]]</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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></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=5i2a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5i2a OCA], [http://pdbe.org/5i2a PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5i2a RCSB], [http://www.ebi.ac.uk/pdbsum/5i2a PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5i2a ProSAT]</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=5i2a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5i2a OCA], [https://pdbe.org/5i2a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5i2a RCSB], [https://www.ebi.ac.uk/pdbsum/5i2a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5i2a ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/Q1A666_9FIRM Q1A666_9FIRM]
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Glycyl radical enzymes (GREs) represent a diverse superfamily of enzymes that utilize a radical mechanism to catalyze difficult, but often essential, chemical reactions. In this work, we present the first biochemical and structural data for a GRE-type diol dehydratase from the organism Roseburia inulinivorans (RiDD). Despite high sequence (48% identity) and structural similarity to the GRE-type glycerol dehydratase from Clostridium butyricum (CbGD), we demonstrate that the RiDD is in fact a diol dehydratase. In addition, the RiDD will utilize both (S)-1,2-propanediol and (R)-1,2-propanediol as a substrate, with an observed preference for the (S) enantiomer. Based on the new structural information we develop and successfully test a hypothesis that explains the functional differences we observe.
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1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity.,LaMattina JW, Keul ND, Reitzer P, Kapoor S, Galzerani F, Koch DJ, Gouvea IE, Lanzilotta WN J Biol Chem. 2016 Jun 1. pii: jbc.M116.721142. PMID:27252380<ref>PMID:27252380</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 5i2a" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Galzerani, F]]
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[[Category: Large Structures]]
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[[Category: Gouvea, I E]]
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[[Category: Roseburia inulinivorans]]
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[[Category: Kapoor, S]]
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[[Category: Galzerani F]]
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[[Category: Koch, D J]]
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[[Category: Gouvea IE]]
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[[Category: LaMattina, J W]]
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[[Category: Kapoor S]]
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[[Category: Lanzilotta, W N]]
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[[Category: Koch DJ]]
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[[Category: Reitzer, P]]
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[[Category: LaMattina JW]]
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[[Category: Diol dehydratase]]
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[[Category: Lanzilotta WN]]
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[[Category: Enzyme structure]]
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[[Category: Reitzer P]]
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[[Category: Glycyl radical enzyme]]
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[[Category: Lyase]]
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1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity

PDB ID 5i2a

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