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| - | [[Image:1jjf.gif|left|200px]] | |
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| - | {{Structure
| + | ==STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF THE FERULOYL ESTERASE DOMAIN OF THE CELLULOSOMAL XYLANASE Z OF CLOSTRIDIUM THERMOCELLUM== |
| - | |PDB= 1jjf |SIZE=350|CAPTION= <scene name='initialview01'>1jjf</scene>, resolution 1.75Å
| + | <StructureSection load='1jjf' size='340' side='right'caption='[[1jjf]], [[Resolution|resolution]] 1.75Å' scene=''> |
| - | |SITE=
| + | == Structural highlights == |
| - | |LIGAND= <scene name='pdbligand=PT:PLATINUM+(II)+ION'>PT</scene>
| + | <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> |
| - | |ACTIVITY= <span class='plainlinks'>[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] </span>
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.75Å</td></tr> |
| - | |GENE= XYNZ ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1515 Clostridium thermocellum])
| + | <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> |
| - | |DOMAIN=<span class='plainlinks'>[http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=pfam00756 Esterase], [http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=COG0627 COG0627]</span>
| + | <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> |
| - | |RELATEDENTRY=
| + | </table> |
| - | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1jjf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jjf OCA], [http://www.ebi.ac.uk/pdbsum/1jjf PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1jjf RCSB]</span>
| + | == Function == |
| - | }}
| + | [https://www.uniprot.org/uniprot/XYNZ_ACET2 XYNZ_ACET2] |
| - | | + | == Evolutionary Conservation == |
| - | '''STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF THE FERULOYL ESTERASE DOMAIN OF THE CELLULOSOMAL XYLANASE Z OF CLOSTRIDIUM THERMOCELLUM'''
| + | [[Image:Consurf_key_small.gif|200px|right]] |
| - | | + | Check<jmol> |
| - | | + | <jmolCheckbox> |
| - | ==Overview==
| + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jj/1jjf_consurf.spt"</scriptWhenChecked> |
| - | 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.
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> |
| - | | + | <text>to colour the structure by Evolutionary Conservation</text> |
| - | ==About this Structure==
| + | </jmolCheckbox> |
| - | 1JJF is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Clostridium_thermocellum Clostridium thermocellum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JJF OCA].
| + | </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]. |
| - | | + | <div style="clear:both"></div> |
| - | ==Reference== | + | __TOC__ |
| - | 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://www.ncbi.nlm.nih.gov/pubmed/11601976 11601976]
| + | </StructureSection> |
| - | [[Category: Clostridium thermocellum]]
| + | [[Category: Acetivibrio thermocellus]] |
| - | [[Category: Endo-1,4-beta-xylanase]] | + | [[Category: Large Structures]] |
| - | [[Category: Single protein]]
| + | [[Category: Blum DL]] |
| - | [[Category: Blum, D L.]]
| + | [[Category: Kataeva IA]] |
| - | [[Category: Kataeva, I A.]]
| + | [[Category: Ljungdahl LG]] |
| - | [[Category: Ljungdahl, L G.]]
| + | [[Category: Rose JP]] |
| - | [[Category: Rose, J P.]]
| + | [[Category: Schubot FD]] |
| - | [[Category: SECSG, Southeast Collaboratory for Structural Genomics.]] | + | [[Category: Shah AK]] |
| - | [[Category: Schubot, F D.]] | + | [[Category: Wang BC]] |
| - | [[Category: Shah, A K.]]
| + | |
| - | [[Category: Wang, B C.]]
| + | |
| - | [[Category: fae_xynz]] | + | |
| - | [[Category: ferulic acid esterase]] | + | |
| - | [[Category: feruloyl esterase]] | + | |
| - | [[Category: protein structure initiative]] | + | |
| - | [[Category: psi]] | + | |
| - | [[Category: secsg]] | + | |
| - | [[Category: southeast collaboratory for structural genomic]] | + | |
| - | [[Category: structural genomic]] | + | |
| - | [[Category: xynz]] | + | |
| - | | + | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:34:35 2008''
| + | |
