2q0s

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[[Image:2q0s.jpg|left|200px]]
 
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{{Structure
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==Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase==
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|PDB= 2q0s |SIZE=350|CAPTION= <scene name='initialview01'>2q0s</scene>, resolution 1.50&Aring;
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<StructureSection load='2q0s' size='340' side='right'caption='[[2q0s]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=N10:O-[(HEXYLAMINO)CARBONYL]-L-SERINE'>N10</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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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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|ACTIVITY= <span class='plainlinks'>[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] </span>
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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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|GENE=
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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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|DOMAIN=
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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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|RELATEDENTRY=[[2q0q|2q0q]]
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2q0s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2q0s OCA], [http://www.ebi.ac.uk/pdbsum/2q0s PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2q0s RCSB]</span>
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== Function ==
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}}
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[https://www.uniprot.org/uniprot/A0R5U7_MYCS2 A0R5U7_MYCS2]
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== Evolutionary Conservation ==
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'''Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase'''
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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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==Overview==
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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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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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<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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==About this Structure==
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</jmolCheckbox>
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2Q0S is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_smegmatis Mycobacterium smegmatis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Q0S OCA].
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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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<div style="clear:both"></div>
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==Reference==
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__TOC__
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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://www.ncbi.nlm.nih.gov/pubmed/17636869 17636869]
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</StructureSection>
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[[Category: Arylesterase]]
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[[Category: Large Structures]]
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[[Category: Mycobacterium smegmatis]]
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[[Category: Mycolicibacterium smegmatis]]
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[[Category: Single protein]]
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[[Category: Bott R]]
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[[Category: Bott, R.]]
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[[Category: Cervin MA]]
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[[Category: Cervin, M A.]]
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[[Category: Ganshaw G]]
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[[Category: Ganshaw, G.]]
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[[Category: Mathews II]]
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[[Category: Mathews, I I.]]
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[[Category: Sala R]]
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[[Category: Sala, R.]]
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[[Category: Saldajeno M]]
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[[Category: Saldajeno, M.]]
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[[Category: Soltis M]]
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[[Category: Soltis, M.]]
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[[Category: Weyler W]]
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[[Category: Weyler, W.]]
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[[Category: Whited G]]
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[[Category: Whited, G.]]
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[[Category: acyl transfer]]
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[[Category: aryl esterase]]
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[[Category: covalent inhibitor]]
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[[Category: oligomeric enzyme]]
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[[Category: sgnh hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:43:15 2008''
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Current revision

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

PDB ID 2q0s

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