3wj8

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==Crystal Structure of DL-2-haloacid dehalogenase mutant with 2-bromo-2-methylpropionate==
==Crystal Structure of DL-2-haloacid dehalogenase mutant with 2-bromo-2-methylpropionate==
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<StructureSection load='3wj8' size='340' side='right' caption='[[3wj8]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
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<StructureSection load='3wj8' size='340' side='right'caption='[[3wj8]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3wj8]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Methylobacterium_sp._cpa1 Methylobacterium sp. cpa1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WJ8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WJ8 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3wj8]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Methylobacterium_sp._CPA1 Methylobacterium sp. CPA1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WJ8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WJ8 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=B2P:2-BROMO-2-METHYLPROPANOIC+ACID'>B2P</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 2.7&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4n2x|4n2x]]</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=B2P:2-BROMO-2-METHYLPROPANOIC+ACID'>B2P</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/2-haloacid_dehalogenase_(configuration-inverting) 2-haloacid dehalogenase (configuration-inverting)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.8.1.10 3.8.1.10] </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=3wj8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wj8 OCA], [https://pdbe.org/3wj8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wj8 RCSB], [https://www.ebi.ac.uk/pdbsum/3wj8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wj8 ProSAT]</span></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=3wj8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wj8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wj8 RCSB], [http://www.ebi.ac.uk/pdbsum/3wj8 PDBsum]</span></td></tr>
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</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/A6BM74_9HYPH A6BM74_9HYPH]
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Several pathways of biotic dechlorination can be found in enzymes, each characterized by different chlorine isotopic fractionation, which can thus serve as a signature of a particular mechanism. Unlike other dehalogenases, DL-2-haloacid dehalogenase, DL-DEX, converts both enantiomers of the substrate. Chlorine isotope effects for this enzyme are larger than in the case of other dehalogenases. Recently, the 3D structure of this enzyme became available and enabled us to model these isotope effects and seek their origin. We show that the elevated values of the chlorine kinetic isotope effects originate in part in the processes of binding and migration within the enzyme active site that precede the dehalogenation step.
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Binding modes of DL-2-haloacid dehalogenase revealed by crystallography, modeling and isotope effects studies.,Siwek A, Omi R, Hirotsu K, Jitsumori K, Esaki N, Kurihara T, Paneth P Arch Biochem Biophys. 2013 Sep 23;540(1-2):26-32. doi: 10.1016/j.abb.2013.09.012. PMID:24071515<ref>PMID:24071515</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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==See Also==
==See Also==
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*[[Dehalogenase|Dehalogenase]]
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*[[Dehalogenase 3D structures|Dehalogenase 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Methylobacterium sp. cpa1]]
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[[Category: Large Structures]]
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[[Category: Esaki, N]]
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[[Category: Methylobacterium sp. CPA1]]
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[[Category: Hirotsu, K]]
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[[Category: Esaki N]]
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[[Category: Jitsumori, K]]
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[[Category: Hirotsu K]]
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[[Category: Kurihara, T]]
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[[Category: Jitsumori K]]
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[[Category: Omi, R]]
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[[Category: Kurihara T]]
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[[Category: Paneth, P]]
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[[Category: Omi R]]
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[[Category: Siwek, A]]
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[[Category: Paneth P]]
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[[Category: Dehalogenase]]
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[[Category: Siwek A]]
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[[Category: Hydrolase]]
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Current revision

Crystal Structure of DL-2-haloacid dehalogenase mutant with 2-bromo-2-methylpropionate

PDB ID 3wj8

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