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{{STRUCTURE_3mf7|  PDB=3mf7  |  SCENE=  }}
===Crystal Structure of (R)-oxirane-2-carboxylate inhibited cis-CaaD===
{{ABSTRACT_PUBMED_21074239}}


==About this Structure==
==Crystal Structure of (R)-oxirane-2-carboxylate inhibited cis-CaaD==
[[3mf7]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Coryneform_bacterium Coryneform bacterium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3MF7 OCA].  
<StructureSection load='3mf7' size='340' side='right'caption='[[3mf7]], [[Resolution|resolution]] 1.65&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3mf7]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Coryneform_bacterium Coryneform bacterium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3MF7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3MF7 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]] 1.65&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PR4:1-[(2R)-2-CARBOXY-2-HYDROXYETHYL]-L-PROLINE'>PR4</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=3mf7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3mf7 OCA], [https://pdbe.org/3mf7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3mf7 RCSB], [https://www.ebi.ac.uk/pdbsum/3mf7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3mf7 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q6VPE5_9CORY Q6VPE5_9CORY]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The isomeric mixture of cis- and trans-1,3-dichloropropene constitutes the active component of a widely used nematocide known as Telone II(R). The mixture is processed by various soil bacteria to acetaldehyde through the 1,3-dichloropropene catabolic pathway. The pathway relies on an isomer-specific hydrolytic dehalogenation reaction catalyzed by cis- or trans-3-chloroacrylic acid dehalogenase, known respectively as cis-CaaD and CaaD. Previous sequence analysis and crystallographic studies of the native and covalently modified enzymes identified Pro-1, His-28, Arg-70, Arg-73, Tyr-103, and Glu-114 as key binding and catalytic residues in cis-CaaD. Mutagenesis of these residues confirmed their importance to the dehalogenation reaction. Crystal structures of the native enzyme (2.01A resolution) and the enzyme covalently modified at the Pro-1 nitrogen by 2-hydroxypropanoate (1.65A resolution) are reported here. Both structures are at a resolution higher than previously reported (2.75A and 2.1A resolution, respectively). The conformation of the covalent adduct is strikingly different from that previously reported due to its interaction with a 7-residue loop (Thr-32 to Leu-38). The participation of another active site residue, Arg-117, in catalysis and inactivation was also examined. The implications of the combined findings for the mechanisms of catalysis and inactivation are discussed.


==Reference==
Crystal structures of native and inactivated cis-3-chloroacrylic acid dehalogenase: Implications for the catalytic and inactivation mechanisms.,Guo Y, Serrano H, Johnson WH Jr, Ernst S, Hackert ML, Whitman CP Bioorg Chem. 2010 Oct 20. PMID:21074239<ref>PMID:21074239</ref>
<ref group="xtra">PMID:021074239</ref><references group="xtra"/><references/>
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3mf7" style="background-color:#fffaf0;"></div>
 
==See Also==
*[[Dehalogenase 3D structures|Dehalogenase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Coryneform bacterium]]
[[Category: Coryneform bacterium]]
[[Category: Ernst, S R.]]
[[Category: Large Structures]]
[[Category: Guo, Y.]]
[[Category: Ernst SR]]
[[Category: Hackert, M L.]]
[[Category: Guo Y]]
[[Category: Johnson, W H.]]
[[Category: Hackert ML]]
[[Category: Serrano, H.]]
[[Category: Johnson Jr WH]]
[[Category: Whitman, C P.]]
[[Category: Serrano H]]
[[Category: Beta-alpha-beta motif]]
[[Category: Whitman CP]]
[[Category: Cis-3-chloroacrylic acid dehalogenase]]
[[Category: Dehalogenase]]
[[Category: Hydrolase]]
[[Category: Isomerase]]
[[Category: Tautomerase]]
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