2bog: Difference between revisions

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-[[Image:2bog.png|left|200px]]
-{{STRUCTURE_2bog|  PDB=2bog  |  SCENE=  }}
+==Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in complex with methyl cellobiosyl-4-thio-beta- cellobioside==
+<StructureSection load='2bog' size='340' side='right'caption='[[2bog]], [[Resolution|resolution]] 1.04&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2bog]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Thermobifida_fusca Thermobifida fusca]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BOG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BOG 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]] 1.04&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=MGL:O1-METHYL-GLUCOSE'>MGL</scene>, <scene name='pdbligand=SGC:4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE'>SGC</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=2bog FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bog OCA], [https://pdbe.org/2bog PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bog RCSB], [https://www.ebi.ac.uk/pdbsum/2bog PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bog ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/GUN2_THEFU GUN2_THEFU]
+== 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/bo/2bog_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=2bog ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Endoglucanase Cel6A from Thermobifida fusca hydrolyzes the beta-1,4 linkages in cellulose at accessible points along the polymer. The structure of the catalytic domain of Cel6A from T. fusca in complex with a nonhydrolysable substrate analogue that acts as an inhibitor, methylcellobiosyl-4-thio-beta-cellobioside (Glc(2)-S-Glc(2)), has been determined to 1.5 A resolution. The glycosyl unit in subsite -1 was sterically hindered by Tyr73 and forced into a distorted (2)S(o) conformation. In the enzyme where Tyr73 was mutated to a serine residue, the hindrance was removed and the glycosyl unit in subsite -1 had a relaxed (4)C(1) chair conformation. The relaxed conformation was seen in two complex structures of the mutated enzyme, with cellotetrose (Glc(4)) at 1.64 A and Glc(2)-S-Glc(2) at 1.04 A resolution.
-===CATALYTIC DOMAIN OF ENDO-1,4-GLUCANASE CEL6A MUTANT Y73S FROM THERMOBIFIDA FUSCA IN COMPLEX WITH METHYL CELLOBIOSYL-4-THIO-BETA-CELLOBIOSIDE===
+Crystal structure of Thermobifida fusca endoglucanase Cel6A in complex with substrate and inhibitor: the role of tyrosine Y73 in substrate ring distortion.,Larsson AM, Bergfors T, Dultz E, Irwin DC, Roos A, Driguez H, Wilson DB, Jones TA Biochemistry. 2005 Oct 4;44(39):12915-22. PMID:16185060<ref>PMID:16185060</ref>
-{{ABSTRACT_PUBMED_16185060}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-==About this Structure==
+<div class="pdbe-citations 2bog" style="background-color:#fffaf0;"></div>
-[[2bog]] is a 1 chain structure of [[Glucanase]] with sequence from [http://en.wikipedia.org/wiki/Thermobifida_fusca Thermobifida fusca]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BOG OCA].
 ==See Also==
-*[[Glucanase|Glucanase]]
+*[[Glucanase 3D structures|Glucanase 3D structures]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:016185060</ref><references group="xtra"/>
+__TOC__
-[[Category: Cellulase]]
+</StructureSection>
-[[Category: Thermobifida fusca]]
+[[Category: Large Structures]]
-[[Category: Bergfors, T.]]
-[[Category: Driguez, H.]]
-[[Category: Dultz, E.]]
-[[Category: Irwin, D C.]]
-[[Category: Jones, T A.]]
-[[Category: Larsson, A M.]]
-[[Category: Roos, A.]]
-[[Category: Wilson, D B.]]
-[[Category: Endoglucanase]]
-[[Category: Glycoside hydrolase family 6]]
-[[Category: Hydrolase]]
-[[Category: Methyl cellobiosyl-4-thio-beta- cellobioside]]
 [[Category: Thermobifida fusca]]
-[[Category: Tim a/b fold]]
+[[Category: Bergfors T]]
+[[Category: Driguez H]]
+[[Category: Dultz E]]
+[[Category: Irwin DC]]
+[[Category: Jones TA]]
+[[Category: Larsson AM]]
+[[Category: Roos A]]
+[[Category: Wilson DB]]