2imd

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{{Seed}}
 
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[[Image:2imd.png|left|200px]]
 
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==Structure of SeMet 2-hydroxychromene-2-carboxylate isomerase (HCCA isomerase)==
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The line below this paragraph, containing "STRUCTURE_2imd", creates the "Structure Box" on the page.
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<StructureSection load='2imd' size='340' side='right'caption='[[2imd]], [[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'>[[2imd]] 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=2IMD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2IMD 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=2C2:(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC+ACID'>2C2</scene>, <scene name='pdbligand=CXS:3-CYCLOHEXYL-1-PROPYLSULFONIC+ACID'>CXS</scene>, <scene name='pdbligand=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=TOH:(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC+ACID'>TOH</scene></td></tr>
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{{STRUCTURE_2imd| PDB=2imd | 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=2imd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2imd OCA], [https://pdbe.org/2imd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2imd RCSB], [https://www.ebi.ac.uk/pdbsum/2imd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2imd ProSAT]</span></td></tr>
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</table>
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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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[[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/im/2imd_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=2imd 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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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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===Structure of SeMet 2-hydroxychromene-2-carboxylate isomerase (HCCA isomerase)===
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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:17508726<ref>PMID:17508726</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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The line below this paragraph, {{ABSTRACT_PUBMED_17508726}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 2imd" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 17508726 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_17508726}}
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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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2IMD is a 1 chain 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=2IMD OCA].
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==Reference==
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<ref group="xtra">PMID:17508726</ref><references group="xtra"/>
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[[Category: Glutathione transferase]]
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[[Category: Pseudomonas putida]]
[[Category: Pseudomonas putida]]
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[[Category: Armstrong, R N.]]
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[[Category: Armstrong RN]]
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[[Category: Codreanu, S G.]]
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[[Category: Codreanu SG]]
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[[Category: Gilliland, G L.]]
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[[Category: Gilliland GL]]
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[[Category: Harp, J.]]
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[[Category: Harp J]]
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[[Category: Ladner, J E.]]
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[[Category: Ladner JE]]
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[[Category: Thompson, L C.]]
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[[Category: Thompson LC]]
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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 Tue Feb 17 18:51:02 2009''
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Current revision

Structure of SeMet 2-hydroxychromene-2-carboxylate isomerase (HCCA isomerase)

PDB ID 2imd

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