1q4t: Difference between revisions

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-[[Image:1q4t.jpg|left|200px]]<br /><applet load="1q4t" size="350" color="white" frame="true" align="right" spinBox="true"
-caption="1q4t, resolution 1.60&Aring;" />
-'''crystal structure of 4-hydroxybenzoyl CoA thioesterase from Arthrobacter sp. strain SU complexed with 4-hydroxyphenyl CoA'''<br />
-==Overview==
+==crystal structure of 4-hydroxybenzoyl CoA thioesterase from Arthrobacter sp. strain SU complexed with 4-hydroxyphenyl CoA==
-The 4-chlorobenzoyl-CoA dehalogenation pathway in certain Arthrobacter and Pseudomonas bacterial species contains three enzymes: a ligase, a dehalogenase, and a thioesterase. Here we describe the high resolution x-ray crystallographic structure of the 4-hydroxybenzoyl-CoA thioesterase from Arthrobacter sp. strain SU. The tetrameric enzyme is a dimer of dimers with each subunit adopting the so-called "hot dog fold" composed of six strands of anti-parallel beta-sheet flanked on one side by a rather long alpha-helix. The dimers come together to form the tetramer with their alpha-helices facing outwards. This quaternary structure is in sharp contrast to that previously observed for the 4-hydroxybenzoyl-CoA thioesterase from Pseudomonas species strain CBS-3, whereby the dimers forming the tetramer pack with their alpha-helices projecting toward the interfacial region. In the Arthrobacter thioesterase, each of the four active sites is formed by three of the subunits of the tetramer. On the basis of both structural and kinetic data, it appears that Glu73 is the active site base in the Arthrobacter thioesterase. Remarkably, this residue is located on the opposite side of the substrate-binding pocket compared with that observed for the Pseudomonas enzyme. Although these two bacterial thioesterases demonstrate equivalent catalytic efficiencies, substrate specificities, and metabolic functions, their quaternary structures, CoA-binding sites, and catalytic platforms are decidedly different.
+<StructureSection load='1q4t' size='340' side='right'caption='[[1q4t]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[1q4t]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Arthrobacter_sp._SU Arthrobacter sp. SU]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1Q4T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1Q4T 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]] 1.6&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4CO:4-HYDROXYPHENACYL+COENZYME+A'>4CO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></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=1q4t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q4t OCA], [https://pdbe.org/1q4t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1q4t RCSB], [https://www.ebi.ac.uk/pdbsum/1q4t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1q4t ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/4HBT_ARTSP 4HBT_ARTSP]
+== 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/q4/1q4t_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=1q4t ConSurf].
+<div style="clear:both"></div>
-==About this Structure==
+==See Also==
-Q4T is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Arthrobacter_sp. Arthrobacter sp.] with <scene name='pdbligand=CL:'>CL</scene>, <scene name='pdbligand=4CO:'>4CO</scene> and <scene name='pdbligand=EDO:'>EDO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/4-hydroxybenzoyl-CoA_thioesterase 4-hydroxybenzoyl-CoA thioesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.2.23 3.1.2.23] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1Q4T OCA].
+*[[Thioesterase 3D structures|Thioesterase 3D structures]]
+__TOC__
-==Reference==
+</StructureSection>
-The structure of 4-hydroxybenzoyl-CoA thioesterase from arthrobacter sp. strain SU., Thoden JB, Zhuang Z, Dunaway-Mariano D, Holden HM, J Biol Chem. 2003 Oct 31;278(44):43709-16. Epub 2003 Aug 7. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12907670 12907670]
+[[Category: Arthrobacter sp. SU]]
-[[Category: 4-hydroxybenzoyl-CoA thioesterase]]
+[[Category: Large Structures]]
-[[Category: Arthrobacter sp.]]
+[[Category: Dunaway-Mariano D]]
-[[Category: Single protein]]
+[[Category: Holden HM]]
-[[Category: Dunaway-Mariano, D.]]
+[[Category: Thoden JB]]
-[[Category: Holden, H M.]]
+[[Category: Zhuang Z]]
-[[Category: Thoden, J B.]]
-[[Category: Zhuang, Z.]]
-[[Category: 4CO]]
-[[Category: CL]]
-[[Category: EDO]]
-[[Category: hot-dog]]
-[[Category: thioesterase]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:35:51 2008''