4cd4: Difference between revisions
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==The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG== | |||
<StructureSection load='4cd4' size='340' side='right' caption='[[4cd4]], [[Resolution|resolution]] 1.20Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[4cd4]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Celju Celju]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4CD4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4CD4 FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=IFM:5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE'>IFM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr> | |||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4cd5|4cd5]], [[4cd6|4cd6]], [[4cd7|4cd7]], [[4cd8|4cd8]]</td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Mannan_endo-1,4-beta-mannosidase Mannan endo-1,4-beta-mannosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.78 3.2.1.78] </span></td></tr> | |||
<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=4cd4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cd4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4cd4 RCSB], [http://www.ebi.ac.uk/pdbsum/4cd4 PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Mannosidases catalyze the hydrolysis of a diverse range of polysaccharides and glycoconjugates, and the various sequence-based mannosidase families have evolved ingenious strategies to overcome the stereoelectronic challenges of mannoside chemistry. Using a combination of computational chemistry, inhibitor design and synthesis, and X-ray crystallography of inhibitor/enzyme complexes, it is demonstrated that mannoimidazole-type inhibitors are energetically poised to report faithfully on mannosidase transition-state conformation, and provide direct evidence for the conformational itinerary used by diverse mannosidases, including beta-mannanases from families GH26 and GH113. Isofagomine-type inhibitors are poor mimics of transition-state conformation, owing to the high energy barriers that must be crossed to attain mechanistically relevant conformations, however, these sugar-shaped heterocycles allow the acquisition of ternary complexes that span the active site, thus providing valuable insight into active-site residues involved in substrate recognition. | |||
Combined inhibitor free-energy landscape and structural analysis reports on the mannosidase conformational coordinate.,Williams RJ, Iglesias-Fernandez J, Stepper J, Jackson A, Thompson AJ, Lowe EC, White JM, Gilbert HJ, Rovira C, Davies GJ, Williams SJ Angew Chem Int Ed Engl. 2014 Jan 20;53(4):1087-91. doi: 10.1002/anie.201308334., Epub 2013 Dec 11. PMID:24339341<ref>PMID:24339341</ref> | |||
== | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Celju]] | |||
[[Category: Mannan endo-1,4-beta-mannosidase]] | [[Category: Mannan endo-1,4-beta-mannosidase]] | ||
[[Category: Davies, G J | [[Category: Davies, G J]] | ||
[[Category: Gilbert, H J | [[Category: Gilbert, H J]] | ||
[[Category: Iglesias-Fernandez, J | [[Category: Iglesias-Fernandez, J]] | ||
[[Category: Jackson, A | [[Category: Jackson, A]] | ||
[[Category: Lowe, E C | [[Category: Lowe, E C]] | ||
[[Category: Rovira, C | [[Category: Rovira, C]] | ||
[[Category: Stepper, J | [[Category: Stepper, J]] | ||
[[Category: Thompson, A J | [[Category: Thompson, A J]] | ||
[[Category: White, J M | [[Category: White, J M]] | ||
[[Category: Williams, R J | [[Category: Williams, R J]] | ||
[[Category: Williams, S J | [[Category: Williams, S J]] | ||
[[Category: Beta-mannosidase]] | [[Category: Beta-mannosidase]] | ||
[[Category: Biocatalysis]] | [[Category: Biocatalysis]] | ||
