2imf

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[[Image:2imf.jpg|left|200px]]
 
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{{Structure
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==2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from Pseudomonas putida==
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|PDB= 2imf |SIZE=350|CAPTION= <scene name='initialview01'>2imf</scene>, resolution 1.30&Aring;
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<StructureSection load='2imf' size='340' side='right'caption='[[2imf]], [[Resolution|resolution]] 1.30&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=TOM:4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC+ACID'>TOM</scene> and <scene name='pdbligand=CXS:3-CYCLOHEXYL-1-PROPYLSULFONIC ACID'>CXS</scene>
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<table><tr><td colspan='2'>[[2imf]] is a 1 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=2IMF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2IMF FirstGlance]. <br>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Glutathione_transferase Glutathione transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.18 2.5.1.18]
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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]] 1.3&#8491;</td></tr>
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|GENE= nahD ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 Pseudomonas putida])
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CXS:3-CYCLOHEXYL-1-PROPYLSULFONIC+ACID'>CXS</scene>, <scene name='pdbligand=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=TOM:4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC+ACID'>TOM</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=2imf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2imf OCA], [https://pdbe.org/2imf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2imf RCSB], [https://www.ebi.ac.uk/pdbsum/2imf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2imf ProSAT]</span></td></tr>
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</table>
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'''2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from Pseudomonas putida'''
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== Function ==
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[https://www.uniprot.org/uniprot/NAHD_PSEPU NAHD_PSEPU] Involved in the naphthalene catabolic pathway. Catalyzes the reversible glutathione-dependent isomerization of 2-hydroxychromene-2-carboxylate (HCCA) to trans-O-hydroxybenzylidenepyruvate (THBPA).<ref>PMID:8002605</ref> <ref>PMID:1447127</ref>
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== Evolutionary Conservation ==
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==Overview==
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[[Image:Consurf_key_small.gif|200px|right]]
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The enzyme 2-hydroxychromene-2-carboxylic acid (HCCA) isomerase catalyzes the glutathione (GSH)-dependent interconversion (Keq = 1.5) of HCCA and trans-o-hydroxybenzylidene pyruvic acid (tHBPA) in the naphthalene catabolic pathway of Pseudomonas putida. The dimeric protein binds one molecule of GSH very tightly (Kd approximately 5 nM) and a second molecule of GSH with much lower affinity (Kd approximately 2 to 11 microM). The enzyme is unstable in the absence of GSH. The turnover number in the forward direction (47 s(-1) at 25 degrees C) greatly exceeds off rates for GSH (koff approximately 10(-3) to 10(-2) s(-1) at 10 degrees C), suggesting that GSH acts as a tightly bound cofactor in the reaction. The crystal structure of the enzyme at 1.7 A resolution reveals that the isomerase is closely related to class kappa GSH transferases. Diffraction quality crystals could only be obtained in the presence of GSH and HCCA/tHBPA. Clear electron density is seen for GSH. Electron density for the organic substrates is located near the GSH and is best modeled to include both HCCA and tHBPA at occupancies of 0.5 for each. Although there is no electron density connecting the sulfur of GSH to the organic substrates, the sulfur is located very close (2.78 A) to C7 of HCCA. Taken together, the results suggest that the isomerization reaction involves a short-lived covalent adduct between the sulfur of GSH and C7 of the substrate.
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Check<jmol>
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<jmolCheckbox>
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==About this Structure==
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/im/2imf_consurf.spt"</scriptWhenChecked>
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2IMF 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=2IMF OCA].
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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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==Reference==
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</jmolCheckbox>
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2-Hydroxychromene-2-carboxylic acid isomerase: a kappa class glutathione transferase from Pseudomonas putida., Thompson LC, Ladner JE, Codreanu SG, Harp J, Gilliland GL, Armstrong RN, Biochemistry. 2007 Jun 12;46(23):6710-22. Epub 2007 May 18. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17508726 17508726]
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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=2imf ConSurf].
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[[Category: Glutathione transferase]]
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<div style="clear:both"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Pseudomonas putida]]
[[Category: Pseudomonas putida]]
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[[Category: Single protein]]
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[[Category: Armstrong RN]]
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[[Category: Armstrong, R N.]]
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[[Category: Codreanu SG]]
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[[Category: Codreanu, S G.]]
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[[Category: Gilliland GL]]
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[[Category: Gilliland, G L.]]
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[[Category: Harp J]]
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[[Category: Harp, J.]]
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[[Category: Ladner JE]]
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[[Category: Ladner, J E.]]
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[[Category: Thompson LC]]
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[[Category: Thompson, L C.]]
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[[Category: CXS]]
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[[Category: GSH]]
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[[Category: PO4]]
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[[Category: TOM]]
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[[Category: glutathione]]
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[[Category: isomerase]]
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[[Category: kappa gst]]
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[[Category: kgst]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:31:08 2008''
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Current revision

2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from Pseudomonas putida

PDB ID 2imf

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