4c4c

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{{STRUCTURE_4c4c| PDB=4c4c | SCENE= }}
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==Michaelis complex of Hypocrea jecorina CEL7A E217Q mutant with cellononaose spanning the active site==
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===Michaelis complex of Hypocrea jecorina CEL7A E217Q mutant with cellononaose spanning the active site===
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<StructureSection load='4c4c' size='340' side='right' caption='[[4c4c]], [[Resolution|resolution]] 1.45&Aring;' scene=''>
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{{ABSTRACT_PUBMED_24341799}}
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4c4c]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_13631 Atcc 13631]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C4C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C4C FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PCA:PYROGLUTAMIC+ACID'>PCA</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4c4d|4c4d]]</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cellulose_1,4-beta-cellobiosidase_(non-reducing_end) Cellulose 1,4-beta-cellobiosidase (non-reducing end)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.91 3.2.1.91] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4c4c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c4c OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4c4c RCSB], [http://www.ebi.ac.uk/pdbsum/4c4c PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Glycoside hydrolases (GHs) cleave glycosidic linkages in carbohydrates, typically via inverting or retaining mechanisms, the latter of which proceeds via a two-step mechanism that includes formation of a glycosyl-enzyme intermediate. We present two new structures of the catalytic domain of Hypocrea jecorina GH Family 7 cellobiohydrolase Cel7A, namely a Michaelis complex with a full cellononaose ligand and a glycosyl-enzyme intermediate, that reveal details of the 'static' reaction coordinate. We also employ transition path sampling to determine the 'dynamic' reaction coordinate for the catalytic cycle. The glycosylation reaction coordinate contains components of forming and breaking bonds and a conformational change in the nucleophile. Deglycosylation proceeds via a product-assisted mechanism wherein the glycosylation product, cellobiose, positions a water molecule for nucleophilic attack on the anomeric carbon of the glycosyl-enzyme intermediate. In concert with previous structures, the present results reveal the complete hydrolytic reaction coordinate for this naturally and industrially important enzyme family.
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==Function==
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The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies.,Knott BC, Haddad Momeni M, Crowley MF, Mackenzie LF, Gotz AW, Sandgren M, Withers SG, Stahlberg J, Beckham GT J Am Chem Soc. 2013 Dec 16. PMID:24341799<ref>PMID:24341799</ref>
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[[http://www.uniprot.org/uniprot/GUX1_HYPJE GUX1_HYPJE]] The biological conversion of cellulose to glucose generally requires three types of hydrolytic enzymes: (1) Endoglucanases which cut internal beta-1,4-glucosidic bonds; (2) Exocellobiohydrolases that cut the dissaccharide cellobiose from the non-reducing end of the cellulose polymer chain; (3) Beta-1,4-glucosidases which hydrolyze the cellobiose and other short cello-oligosaccharides to glucose.
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==About this Structure==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[4c4c]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C4C OCA].
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</div>
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:024341799</ref><references group="xtra"/><references/>
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__TOC__
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[[Category: Haddad-Momeni, M.]]
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</StructureSection>
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[[Category: Sandgren, M.]]
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[[Category: Atcc 13631]]
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[[Category: Stahlberg, J.]]
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[[Category: Haddad-Momeni, M]]
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[[Category: Cellulase.]]
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[[Category: Sandgren, M]]
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[[Category: Stahlberg, J]]
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[[Category: Cellulase]]
[[Category: Glycoside hydrolase]]
[[Category: Glycoside hydrolase]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]

Revision as of 18:50, 21 December 2014

Michaelis complex of Hypocrea jecorina CEL7A E217Q mutant with cellononaose spanning the active site

4c4c, resolution 1.45Å

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