1jjf

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(New page: 200px<br /><applet load="1jjf" size="450" color="white" frame="true" align="right" spinBox="true" caption="1jjf, resolution 1.75&Aring;" /> '''STRUCTURAL BASIS FOR...)
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[[Image:1jjf.gif|left|200px]]<br /><applet load="1jjf" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1jjf, resolution 1.75&Aring;" />
 
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'''STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF THE FERULOYL ESTERASE DOMAIN OF THE CELLULOSOMAL XYLANASE Z OF CLOSTRIDIUM THERMOCELLUM'''<br />
 
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==Overview==
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==STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF THE FERULOYL ESTERASE DOMAIN OF THE CELLULOSOMAL XYLANASE Z OF CLOSTRIDIUM THERMOCELLUM==
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Feruloyl esterases function in the cleavage of ferulic acid's bonds to, arabinoxylan and pectin where the ferulic acid moieties cross-link the, layers of polysaccharide chains within hemicellulose. This work presents, the crystal structure of FAE_XynZ, the domain of Clostridium, thermocellum's cellulosomal xylanase Z that displays feruloyl esterase, activity. The structure was obtained via multiple isomorphous replacement, with anomalous scattering (MIRAS) using three heavy atom derivatives and, refined against X-ray diffraction data of up to 1.75 A resolution. The, R-value of the final model was 0.187 (R(free) = 0.21). FAE_XynZ displays, an eight-stranded alpha/beta-fold with the characteristic "catalytic, triad" at the heart of the active site. To define the substrate, specificity determinants of the enzyme, the crystal structures of FAE_XynZ, and the inactive FAE_XynZ(S172A) mutant were determined in complexes with, the feruloyl-arabinoxylans FAXX and FAX(3), respectively. In the complex, crystals, the ferulic acid moieties are clearly recognizable and allowed, identification of the hydrophobic binding pocket. The carbohydrate part of, both substrates is not visible in either structure. The location of the, putative carbohydrate binding-pocket was inferred based on the location, and orientation of the adjacent ferulic acid molecule. Five of the six, residues lining the pocket were found to be conserved in FAE A from, Orpinomyces sp., which further supports the proposed role of these amino, acids.
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<StructureSection load='1jjf' size='340' side='right'caption='[[1jjf]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1jjf]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Acetivibrio_thermocellus Acetivibrio thermocellus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JJF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JJF FirstGlance]. <br>
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1JJF is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Clostridium_thermocellum Clostridium thermocellum] with PT as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Endo-1,4-beta-xylanase Endo-1,4-beta-xylanase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.8 3.2.1.8] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1JJF 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]] 1.75&#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=PT:PLATINUM+(II)+ION'>PT</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=1jjf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jjf OCA], [https://pdbe.org/1jjf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jjf RCSB], [https://www.ebi.ac.uk/pdbsum/1jjf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jjf ProSAT], [https://www.topsan.org/Proteins/SECSG/1jjf TOPSAN]</span></td></tr>
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Structural basis for the substrate specificity of the feruloyl esterase domain of the cellulosomal xylanase Z from Clostridium thermocellum., Schubot FD, Kataeva IA, Blum DL, Shah AK, Ljungdahl LG, Rose JP, Wang BC, Biochemistry. 2001 Oct 23;40(42):12524-32. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11601976 11601976]
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</table>
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[[Category: Clostridium thermocellum]]
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== Function ==
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[[Category: Endo-1,4-beta-xylanase]]
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[https://www.uniprot.org/uniprot/XYNZ_ACET2 XYNZ_ACET2]
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[[Category: Single protein]]
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== Evolutionary Conservation ==
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[[Category: Blum, D.L.]]
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[[Image:Consurf_key_small.gif|200px|right]]
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[[Category: Kataeva, I.A.]]
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Check<jmol>
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[[Category: Ljungdahl, L.G.]]
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<jmolCheckbox>
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[[Category: Rose, J.P.]]
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jj/1jjf_consurf.spt"</scriptWhenChecked>
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[[Category: SECSG, Southeast.Collaboratory.for.Structural.Genomics.]]
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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[[Category: Schubot, F.D.]]
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<text>to colour the structure by Evolutionary Conservation</text>
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[[Category: Shah, A.K.]]
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</jmolCheckbox>
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[[Category: Wang, B.C.]]
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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=1jjf ConSurf].
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[[Category: PT]]
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<div style="clear:both"></div>
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[[Category: fae_xynz]]
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__TOC__
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[[Category: ferulic acid esterase]]
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</StructureSection>
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[[Category: feruloyl esterase]]
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[[Category: Acetivibrio thermocellus]]
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[[Category: protein structure initiative]]
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[[Category: Large Structures]]
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[[Category: psi]]
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[[Category: Blum DL]]
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[[Category: secsg]]
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[[Category: Kataeva IA]]
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[[Category: southeast collaboratory for structural genomics]]
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[[Category: Ljungdahl LG]]
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[[Category: structural genomics]]
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[[Category: Rose JP]]
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[[Category: xynz]]
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[[Category: Schubot FD]]
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[[Category: Shah AK]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 18:19:30 2007''
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[[Category: Wang BC]]

Current revision

STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF THE FERULOYL ESTERASE DOMAIN OF THE CELLULOSOMAL XYLANASE Z OF CLOSTRIDIUM THERMOCELLUM

PDB ID 1jjf

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