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1pwx

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[[Image:1pwx.jpg|left|200px]]
 
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{{Structure
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==Crystal structure of the haloalcohol dehalogenase HheC complexed with bromide==
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|PDB= 1pwx |SIZE=350|CAPTION= <scene name='initialview01'>1pwx</scene>, resolution 1.80&Aring;
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<StructureSection load='1pwx' size='340' side='right'caption='[[1pwx]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=BR:BROMIDE ION'>BR</scene>
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<table><tr><td colspan='2'>[[1pwx]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Agrobacterium_tumefaciens Agrobacterium tumefaciens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PWX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1PWX FirstGlance]. <br>
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|ACTIVITY=
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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]] 1.8&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene></td></tr>
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}}
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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=1pwx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1pwx OCA], [https://pdbe.org/1pwx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1pwx RCSB], [https://www.ebi.ac.uk/pdbsum/1pwx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1pwx ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q93D82_RHIRD Q93D82_RHIRD]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/pw/1pwx_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1pwx ConSurf].
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<div style="clear:both"></div>
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'''Crystal structure of the haloalcohol dehalogenase HheC complexed with bromide'''
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==See Also==
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*[[Dehalogenase 3D structures|Dehalogenase 3D structures]]
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__TOC__
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==Overview==
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</StructureSection>
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Haloalcohol dehalogenases are bacterial enzymes that catalyze the cofactor-independent dehalogenation of vicinal haloalcohols such as the genotoxic environmental pollutant 1,3-dichloro-2-propanol, thereby producing an epoxide, a chloride ion and a proton. Here we present X-ray structures of the haloalcohol dehalogenase HheC from Agrobacterium radiobacter AD1, and complexes of the enzyme with an epoxide product and chloride ion, and with a bound haloalcohol substrate mimic. These structures support a catalytic mechanism in which Tyr145 of a Ser-Tyr-Arg catalytic triad deprotonates the haloalcohol hydroxyl function to generate an intramolecular nucleophile that substitutes the vicinal halogen. Haloalcohol dehalogenases are related to the widespread family of NAD(P)H-dependent short-chain dehydrogenases/reductases (SDR family), which use a similar Ser-Tyr-Lys/Arg catalytic triad to catalyze reductive or oxidative conversions of various secondary alcohols and ketones. Our results reveal the first structural details of an SDR-related enzyme that catalyzes a substitutive dehalogenation reaction rather than a redox reaction, in which a halide-binding site is found at the location of the NAD(P)H binding site. Structure-based sequence analysis reveals that the various haloalcohol dehalogenases have likely originated from at least two different NAD-binding SDR precursors.
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==About this Structure==
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1PWX is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Agrobacterium_tumefaciens Agrobacterium tumefaciens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PWX OCA].
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==Reference==
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Structure and mechanism of a bacterial haloalcohol dehalogenase: a new variation of the short-chain dehydrogenase/reductase fold without an NAD(P)H binding site., de Jong RM, Tiesinga JJ, Rozeboom HJ, Kalk KH, Tang L, Janssen DB, Dijkstra BW, EMBO J. 2003 Oct 1;22(19):4933-44. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/14517233 14517233]
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[[Category: Agrobacterium tumefaciens]]
[[Category: Agrobacterium tumefaciens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Dijkstra, B W.]]
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[[Category: Dijkstra BW]]
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[[Category: Janssen, D B.]]
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[[Category: Janssen DB]]
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[[Category: Jong, R M.de.]]
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[[Category: Kalk KH]]
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[[Category: Kalk, K H.]]
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[[Category: Rozeboom HJ]]
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[[Category: Rozeboom, H J.]]
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[[Category: Tang L]]
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[[Category: Tang, L.]]
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[[Category: Tiesinga JJW]]
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[[Category: Tiesinga, J J.W.]]
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[[Category: De Jong RM]]
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[[Category: BR]]
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[[Category: haloalcohol dehalogenase]]
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[[Category: halohydrin dehalogenase]]
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[[Category: halohydrin hydrogen-halide lyase]]
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[[Category: rossmann fold]]
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[[Category: sdr family]]
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[[Category: short-chain dehydrogenase/reductase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:29:59 2008''
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Current revision

Crystal structure of the haloalcohol dehalogenase HheC complexed with bromide

PDB ID 1pwx

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