2q0s

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[[Image:2q0s.jpg|left|200px]]<br /><applet load="2q0s" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="2q0s, resolution 1.50&Aring;" />
 
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'''Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase'''<br />
 
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==Overview==
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==Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase==
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The unusual architecture of the enzyme (MsAcT) isolated from Mycobacterium smegmatis forms the mechanistic basis for favoring alcoholysis over hydrolysis in water. Unlike hydrolases that perform alcoholysis only under anhydrous conditions, MsAcT demonstrates alcoholysis in substantially aqueous media and, in the presence of hydrogen peroxide, has a perhydrolysis:hydrolysis ratio 50-fold greater than that of the best lipase tested. The crystal structures of the apoenzyme and an inhibitor-bound form have been determined to 1.5 A resolution. MsAcT is an octamer in the asymmetric unit and forms a tightly associated aggregate in solution. Relative to other structurally similar monomers, MsAcT contains several insertions that contribute to the oligomerization and greatly restrict the shape of the active site, thereby limiting its accessibility. These properties create an environment by which MsAcT can catalyze transesterification reactions in an aqueous medium and suggests how a serine hydrolase can be engineered to be an efficient acyltransferase.
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<StructureSection load='2q0s' size='340' side='right'caption='[[2q0s]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[2q0s]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycolicibacterium_smegmatis Mycolicibacterium smegmatis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Q0S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Q0S FirstGlance]. <br>
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2Q0S is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_smegmatis Mycobacterium smegmatis] with <scene name='pdbligand=SO4:'>SO4</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Arylesterase Arylesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.2 3.1.1.2] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Q0S OCA].
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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]] 1.5&#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=N10:O-[(HEXYLAMINO)CARBONYL]-L-SERINE'>N10</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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==Reference==
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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=2q0s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2q0s OCA], [https://pdbe.org/2q0s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2q0s RCSB], [https://www.ebi.ac.uk/pdbsum/2q0s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2q0s ProSAT]</span></td></tr>
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Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions., Mathews I, Soltis M, Saldajeno M, Ganshaw G, Sala R, Weyler W, Cervin MA, Whited G, Bott R, Biochemistry. 2007 Aug 7;46(31):8969-79. Epub 2007 Jul 18. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17636869 17636869]
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</table>
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[[Category: Arylesterase]]
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== Function ==
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[[Category: Mycobacterium smegmatis]]
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[https://www.uniprot.org/uniprot/A0R5U7_MYCS2 A0R5U7_MYCS2]
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[[Category: Single protein]]
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== Evolutionary Conservation ==
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[[Category: Bott, R.]]
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[[Image:Consurf_key_small.gif|200px|right]]
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[[Category: Cervin, M A.]]
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Check<jmol>
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[[Category: Ganshaw, G.]]
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<jmolCheckbox>
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[[Category: Mathews, I I.]]
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/q0/2q0s_consurf.spt"</scriptWhenChecked>
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[[Category: Sala, R.]]
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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[[Category: Saldajeno, M.]]
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<text>to colour the structure by Evolutionary Conservation</text>
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[[Category: Soltis, M.]]
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</jmolCheckbox>
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[[Category: Weyler, W.]]
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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=2q0s ConSurf].
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[[Category: Whited, G.]]
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<div style="clear:both"></div>
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[[Category: SO4]]
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__TOC__
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[[Category: acyl transfer]]
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</StructureSection>
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[[Category: aryl esterase]]
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[[Category: Large Structures]]
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[[Category: covalent inhibitor]]
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[[Category: Mycolicibacterium smegmatis]]
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[[Category: oligomeric enzyme]]
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[[Category: Bott R]]
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[[Category: sgnh hydrolase]]
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[[Category: Cervin MA]]
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[[Category: Ganshaw G]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:35:00 2008''
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[[Category: Mathews II]]
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[[Category: Sala R]]
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[[Category: Saldajeno M]]
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[[Category: Soltis M]]
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[[Category: Weyler W]]
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[[Category: Whited G]]

Current revision

Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase

PDB ID 2q0s

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