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2bfn

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[[Image:2bfn.png|left|200px]]
 
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==The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane.==
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The line below this paragraph, containing "STRUCTURE_2bfn", creates the "Structure Box" on the page.
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<StructureSection load='2bfn' size='340' side='right'caption='[[2bfn]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2bfn]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Sphingomonas_paucimobilis Sphingomonas paucimobilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BFN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BFN FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 1.6&#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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=D2P:(2S)-2,3-DICHLOROPROPAN-1-OL'>D2P</scene></td></tr>
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{{STRUCTURE_2bfn| PDB=2bfn | SCENE= }}
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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=2bfn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bfn OCA], [https://pdbe.org/2bfn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bfn RCSB], [https://www.ebi.ac.uk/pdbsum/2bfn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bfn ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/LINB_SPHJU LINB_SPHJU] Catalyzes hydrolytic cleavage of carbon-halogen bonds in halogenated aliphatic compounds, leading to the formation of the corresponding primary alcohols, halide ions and protons. Has a broad substrate specificity since not only monochloroalkanes (C3 to C10) but also dichloroalkanes (> C3), bromoalkanes, and chlorinated aliphatic alcohols are good substrates (PubMed:9293022, PubMed:10100638). Shows almost no activity with 1,2-dichloroethane, but very high activity with the brominated analog (PubMed:9293022). Is involved in the degradation of the important environmental pollutant gamma-hexachlorocyclohexane (gamma-HCH or lindane) as it also catalyzes conversion of 1,3,4,6-tetrachloro-1,4-cyclohexadiene (1,4-TCDN) to 2,5-dichloro-2,5-cyclohexadiene-1,4-diol (2,5-DDOL) via the intermediate 2,4,5-trichloro-2,5-cyclohexadiene-1-ol (2,4,5-DNOL) (PubMed:7691794). This degradation pathway allows S.japonicum UT26 to grow on gamma-HCH as the sole source of carbon and energy.<ref>PMID:10100638</ref> <ref>PMID:7691794</ref> <ref>PMID:9293022</ref>
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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/bf/2bfn_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=2bfn ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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1,2,3-Trichloropropane (TCP) is a highly toxic and recalcitrant compound. Haloalkane dehalogenases are bacterial enzymes that catalyze the cleavage of a carbon-halogen bond in a wide range of organic halogenated compounds. Haloalkane dehalogenase LinB from Sphingobium japonicum UT26 has, for a long time, been considered inactive with TCP, since the reaction cannot be easily detected by conventional analytical methods. Here we demonstrate detection of the weak activity (k(cat) = 0.005 s(-1)) of LinB with TCP using X-ray crystallography and microcalorimetry. This observation makes LinB a useful starting material for the development of a new biocatalyst toward TCP by protein engineering. Microcalorimetry is proposed to be a universal method for the detection of weak enzymatic activities. Detection of these activities is becoming increasingly important for engineering novel biocatalysts using the scaffolds of proteins with promiscuous activities.
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===THE CRYSTAL STRUCTURE OF THE COMPLEX OF THE HALOALKANE DEHALOGENASE LINB WITH THE PRODUCT OF DEHALOGENATION REACTION 1,2-DICHLOROPROPANE.===
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Weak activity of haloalkane dehalogenase LinB with 1,2,3-trichloropropane revealed by X-Ray crystallography and microcalorimetry.,Monincova M, Prokop Z, Vevodova J, Nagata Y, Damborsky J Appl Environ Microbiol. 2007 Mar;73(6):2005-8. Epub 2007 Jan 26. PMID:17259360<ref>PMID:17259360</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 2bfn" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_17259360}}, adds the Publication Abstract to the page
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*[[Dehalogenase 3D structures|Dehalogenase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 17259360 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_17259360}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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[[2bfn]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Sphingomonas_paucimobilis Sphingomonas paucimobilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BFN OCA].
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==Reference==
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<ref group="xtra">PMID:17259360</ref><ref group="xtra">PMID:11087355</ref><references group="xtra"/>
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[[Category: Haloalkane dehalogenase]]
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[[Category: Sphingomonas paucimobilis]]
[[Category: Sphingomonas paucimobilis]]
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[[Category: Banas, P.]]
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[[Category: Banas P]]
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[[Category: Bohac, M.]]
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[[Category: Bohac M]]
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[[Category: Damborsky, J.]]
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[[Category: Damborsky J]]
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[[Category: Jerabek, P.]]
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[[Category: Jerabek P]]
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[[Category: Otyepka, M.]]
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[[Category: Otyepka M]]
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[[Category: Vevodova, J.]]
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[[Category: Vevodova J]]
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[[Category: 1\]]
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[[Category: 2\]]
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[[Category: 3-trichloropropane]]
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[[Category: Alpha/beta-hydrolase]]
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[[Category: Haloalkane dehalogenase linb]]
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[[Category: Hydrolase]]
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Current revision

The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane.

PDB ID 2bfn

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