3bjx

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[[Image:3bjx.jpg|left|200px]]
 
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==Structure of a Group I haloacid dehalogenase from Pseudomonas putida strain PP3==
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The line below this paragraph, containing "STRUCTURE_3bjx", creates the "Structure Box" on the page.
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<StructureSection load='3bjx' size='340' side='right'caption='[[3bjx]], [[Resolution|resolution]] 2.30&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'>[[3bjx]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BJX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BJX 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]] 2.3&#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=MSE:SELENOMETHIONINE'>MSE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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{{STRUCTURE_3bjx| PDB=3bjx | 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=3bjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bjx OCA], [https://pdbe.org/3bjx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bjx RCSB], [https://www.ebi.ac.uk/pdbsum/3bjx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bjx ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q8GJ84_PSEPU Q8GJ84_PSEPU]
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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/bj/3bjx_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=3bjx 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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Haloacid dehalogenases catalyse the removal of halides from organic haloacids and are of interest for bioremediation and for their potential use in the synthesis of industrial chemicals. We present the crystal structure of the homodimer DehI from Pseudomonas putida strain PP3, the first structure of a group I alpha-haloacid dehalogenase that can process both L- and D-substrates. The structure shows that the DehI monomer consists of two domains of approximately 130 amino acids that have approximately 16% sequence identity yet adopt virtually identical and unique folds that form a pseudo-dimer. Analysis of the active site reveals the likely binding mode of both L- and D-substrates with respect to key catalytic residues. Asp189 is predicted to activate a water molecule for nucleophilic attack of the substrate chiral centre resulting in an inversion of configuration of either l- or d-substrates in contrast to D-only enzymes. These details will assist with future bioengineering of dehalogenases.
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'''Structure of a Group I haloacid dehalogenase from Pseudomonas putida strain PP3'''
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The crystal structure of DehI reveals a new alpha-haloacid dehalogenase fold and active-site mechanism.,Schmidberger JW, Wilce JA, Weightman AJ, Whisstock JC, Wilce MC J Mol Biol. 2008 Apr 18;378(1):284-94. Epub 2008 Feb 29. PMID:18353360<ref>PMID:18353360</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 3bjx" style="background-color:#fffaf0;"></div>
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==Overview==
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==See Also==
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Haloacid dehalogenases catalyse the removal of halides from organic haloacids and are of interest for bioremediation and for their potential use in the synthesis of industrial chemicals. We present the crystal structure of the homodimer DehI from Pseudomonas putida strain PP3, the first structure of a group I alpha-haloacid dehalogenase that can process both l- and d-substrates. The structure shows that the DehI monomer consists of two domains of approximately 130 amino acids that have approximately 16% sequence identity yet adopt virtually identical and unique folds that form a pseudo-dimer. Analysis of the active site reveals the likely binding mode of both l- and d-substrates with respect to key catalytic residues. Asp189 is predicted to activate a water molecule for nucleophilic attack of the substrate chiral centre resulting in an inversion of configuration of either l- or d-substrates in contrast to d-only enzymes. These details will assist with future bioengineering of dehalogenases.
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*[[Dehalogenase 3D structures|Dehalogenase 3D structures]]
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== References ==
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==About this Structure==
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<references/>
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3BJX is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BJX OCA].
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__TOC__
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</StructureSection>
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==Reference==
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[[Category: Large Structures]]
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The Crystal Structure of DehI Reveals a New alpha-Haloacid Dehalogenase Fold and Active-Site Mechanism., Schmidberger JW, Wilce JA, Weightman AJ, Whisstock JC, Wilce MC, J Mol Biol. 2008 Feb 29;. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18353360 18353360]
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[[Category: Pseudomonas putida]]
[[Category: Pseudomonas putida]]
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[[Category: Single protein]]
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[[Category: Schmidberger JW]]
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[[Category: Schmidberger, J W.]]
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[[Category: Wilce MCJ]]
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[[Category: Wilce, M C.J.]]
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[[Category: Hydrolase]]
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[[Category: Plasmid]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Apr 24 09:33:06 2008''
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Current revision

Structure of a Group I haloacid dehalogenase from Pseudomonas putida strain PP3

PDB ID 3bjx

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