2j5i: Difference between revisions

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-[[Image:2j5i.png|left|200px]]
-{{STRUCTURE_2j5i|  PDB=2j5i  |  SCENE=  }}
+==Crystal Structure of Hydroxycinnamoyl-CoA Hydratase-Lyase==
+<StructureSection load='2j5i' size='340' side='right'caption='[[2j5i]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2j5i]] is a 12 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_fluorescens Pseudomonas fluorescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2J5I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2J5I FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2j5i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2j5i OCA], [https://pdbe.org/2j5i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2j5i RCSB], [https://www.ebi.ac.uk/pdbsum/2j5i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2j5i ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/HCHL_PSEFL HCHL_PSEFL] Catalyzes the hydration of the acyl-CoA thioester of ferulic acid and the subsequent retro-aldol cleavage of the hydrated intermediate to yield vanillin (4-hydroxy-3-methoxy-benzaldehyde).<ref>PMID:9461612</ref>
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/j5/2j5i_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</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=2j5i ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The crystal structure of hydroxycinnamoyl-CoA hydratase-lyase (HCHL) from Pseudomonas fluorescens AN103 has been solved to 1.8 A resolution. HCHL is a member of the crotonase superfamily and catalyses the hydration of the acyl-CoA thioester of ferulic acid [3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid] and the subsequent retro-aldol cleavage of the hydrated intermediate to yield vanillin (4-hydroxy-3-methoxy-benzaldehyde). The structure contains 12 molecules in the asymmetric unit, in which HCHL assumes a hexameric structure of two stacked trimers. The substrate, feruloyl-CoA, was modelled into the active site based on the structure of enoyl-CoA hydratase bound to the feruloyl-CoA-like substrate 4-(N,N-dimethylamino)-cinnamoyl-CoA (PDB code 1ey3). Feruloyl-CoA was bound in this model between helix 3 of the A subunit and helix 9 of the B subunit. A highly ordered structural water in the HCHL structure coincided with the thioester carbonyl of feruloyl-CoA in the model, suggesting that the oxyanion hole for stabilization of a thioester-derived enolate, characteristic of coenzyme-A dependent members of the crotonase superfamily, is conserved. The model also suggested that a strong hydrogen bond between the phenolic hydroxyl groups of feruloyl-CoA and BTyr239 may be an important determinant of the enzyme's ability to discriminate between the natural substrate and cinnamoyl-CoA, which is not a substrate.
-===CRYSTAL STRUCTURE OF HYDROXYCINNAMOYL-COA HYDRATASE-LYASE===
+The 1.8 A resolution structure of hydroxycinnamoyl-coenzyme A hydratase-lyase (HCHL) from Pseudomonas fluorescens, an enzyme that catalyses the transformation of feruloyl-coenzyme A to vanillin.,Leonard PM, Brzozowski AM, Lebedev A, Marshall CM, Smith DJ, Verma CS, Walton NJ, Grogan G Acta Crystallogr D Biol Crystallogr. 2006 Dec;62(Pt 12):1494-501. Epub, 2006 Nov 23. PMID:17139085<ref>PMID:17139085</ref>
-{{ABSTRACT_PUBMED_17139085}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-==About this Structure==
+<div class="pdbe-citations 2j5i" style="background-color:#fffaf0;"></div>
-[[2j5i]] is a 12 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_fluorescens Pseudomonas fluorescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2J5I OCA].
+== References ==
+<references/>
-==Reference==
+__TOC__
-<ref group="xtra">PMID:017139085</ref><references group="xtra"/>
+</StructureSection>
+[[Category: Large Structures]]
 [[Category: Pseudomonas fluorescens]]
-[[Category: Trans-feruloyl-CoA hydratase]]
+[[Category: Brzozowski AM]]
-[[Category: Brzozowski, A M.]]
+[[Category: Grogan G]]
-[[Category: Grogan, G.]]
+[[Category: Lebedev A]]
-[[Category: Lebedev, A.]]
+[[Category: Leonard PM]]
-[[Category: Leonard, P M.]]
+[[Category: Marshall CM]]
-[[Category: Marshall, C M.]]
+[[Category: Smith DJ]]
-[[Category: Smith, D J.]]
+[[Category: Verma CS]]
-[[Category: Verma, C S.]]
+[[Category: Walton NJ]]
-[[Category: Walton, N J.]]
-[[Category: Aldolase]]
-[[Category: Coenzyme-a]]
-[[Category: Crotonase]]
-[[Category: Hydratase]]
-[[Category: Lyase]]
-[[Category: Vanillin]]