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1bn7

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[[Image:1bn7.jpg|left|200px]]<br /><applet load="1bn7" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1bn7, resolution 1.50&Aring;" />
 
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'''HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES'''<br />
 
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==Overview==
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==HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES==
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The hydrolytic haloalkane dehalogenases are promising bioremediation and, biocatalytic agents. Two general classes of dehalogenases have been, reported from Xanthobacter and Rhodococcus. While these enzymes share 30%, amino acid sequence identity, they have significantly different substrate, specificities and halide-binding properties. We report the 1.5 A, resolution crystal structure of the Rhodococcus dehalogenase at pH 5.5, pH, 7.0, and pH 5.5 in the presence of NaI. The Rhodococcus and Xanthobacter, enzymes have significant structural homology in the alpha/beta hydrolase, core, but differ considerably in the cap domain. Consistent with its broad, specificity for primary, secondary, and cyclic haloalkanes, the, Rhodococcus enzyme has a substantially larger active site cavity., Significantly, the Rhodococcus dehalogenase has a different catalytic, triad topology than the Xanthobacter enzyme. In the Xanthobacter, dehalogenase, the third carboxylate functionality in the triad is provided, by D260, which is positioned on the loop between beta7 and the penultimate, helix. The carboxylate functionality in the Rhodococcus catalytic triad is, donated from E141. A model of the enzyme cocrystallized with sodium iodide, shows two iodide binding sites; one that defines the normal substrate and, product-binding site and a second within the active site region. In the, substrate and product complexes, the halogen binds to the Xanthobacter, enzyme via hydrogen bonds with the N(eta)H of both W125 and W175. The, Rhodococcusenzyme does not have a tryptophan analogous to W175. Instead, bound halide is stabilized with hydrogen bonds to the N(eta)H of W118 and, to N(delta)H of N52. It appears that when cocrystallized with NaI the, Rhodococcus enzyme has a rare stable S-I covalent bond to S(gamma) of, C187.
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<StructureSection load='1bn7' size='340' side='right'caption='[[1bn7]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1bn7]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodococcus_sp. Rhodococcus sp.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1BN7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1BN7 FirstGlance]. <br>
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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]] 1.5&#8491;</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=ACT:ACETATE+ION'>ACT</scene></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=1bn7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1bn7 OCA], [https://pdbe.org/1bn7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1bn7 RCSB], [https://www.ebi.ac.uk/pdbsum/1bn7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1bn7 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/DHAA_RHOSD DHAA_RHOSD]
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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/bn/1bn7_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=1bn7 ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1BN7 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Rhodococcus_sp. Rhodococcus sp.] with ACT as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Haloalkane_dehalogenase Haloalkane dehalogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.8.1.5 3.8.1.5] Known structural/functional Site: <scene name='pdbsite=CAT:Catalytic Triad Residues'>CAT</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1BN7 OCA].
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*[[Dehalogenase 3D structures|Dehalogenase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Haloalkane dehalogenases: structure of a Rhodococcus enzyme., Newman J, Peat TS, Richard R, Kan L, Swanson PE, Affholter JA, Holmes IH, Schindler JF, Unkefer CJ, Terwilliger TC, Biochemistry. 1999 Dec 7;38(49):16105-14. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10587433 10587433]
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[[Category: Large Structures]]
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[[Category: Haloalkane dehalogenase]]
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[[Category: Rhodococcus sp]]
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[[Category: Rhodococcus sp.]]
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[[Category: Affholter JA]]
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[[Category: Single protein]]
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[[Category: Holmes IH]]
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[[Category: Affholter, J.A.]]
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[[Category: Kan L]]
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[[Category: Holmes, I.H.]]
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[[Category: Newman J]]
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[[Category: Kan, L.]]
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[[Category: Peat TS]]
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[[Category: Newman, J.]]
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[[Category: Richard R]]
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[[Category: Peat, T.S.]]
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[[Category: Schindler JF]]
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[[Category: Richard, R.]]
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[[Category: Swanson PE]]
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[[Category: Schindler, J.F.]]
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[[Category: Terwilliger TC]]
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[[Category: Swanson, P.E.]]
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[[Category: Unkefer CJ]]
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[[Category: Terwilliger, T.C.]]
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[[Category: Unkefer, C.J.]]
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[[Category: ACT]]
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[[Category: alpha/beta-hydrolase]]
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[[Category: crystal structure]]
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[[Category: dehalogenase]]
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[[Category: dhla]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 14:30:32 2007''
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Current revision

HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES

PDB ID 1bn7

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