4g5h

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==Crystal structure of capsular polysaccharide synthesizing enzyme CapE from Staphylococcus aureus in complex with by-product==
==Crystal structure of capsular polysaccharide synthesizing enzyme CapE from Staphylococcus aureus in complex with by-product==
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<StructureSection load='4g5h' size='340' side='right' caption='[[4g5h]], [[Resolution|resolution]] 1.88&Aring;' scene=''>
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<StructureSection load='4g5h' size='340' side='right'caption='[[4g5h]], [[Resolution|resolution]] 1.88&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4g5h]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Staam Staam]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4G5H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4G5H FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4g5h]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_Mu50 Staphylococcus aureus subsp. aureus Mu50]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4G5H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4G5H 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=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=UD7:[(2R,3R,4R,6R)-3-ACETAMIDO-6-METHYL-4-OXIDANYL-5-OXIDANYLIDENE-OXAN-2-YL]+[[(2R,3S,4R,5R)-5-[2,4-BIS(OXIDANYLIDENE)PYRIMIDIN-1-YL]-3,4-BIS(OXIDANYL)OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL]+HYDROGEN+PHOSPHATE'>UD7</scene></td></tr>
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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]] 1.88&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3vvb|3vvb]], [[3vvc|3vvc]]</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=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=UD7:[(2R,3R,4R,6R)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl]+[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]+hydrogen+phosphate'>UD7</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">capE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=158878 STAAM])</td></tr>
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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=4g5h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4g5h OCA], [https://pdbe.org/4g5h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4g5h RCSB], [https://www.ebi.ac.uk/pdbsum/4g5h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4g5h ProSAT]</span></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/UDP-N-acetylglucosamine_4,6-dehydratase_(inverting) UDP-N-acetylglucosamine 4,6-dehydratase (inverting)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.115 4.2.1.115] </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=4g5h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4g5h OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4g5h RCSB], [http://www.ebi.ac.uk/pdbsum/4g5h PDBsum]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/A0A0H3JPH0_STAAM A0A0H3JPH0_STAAM]
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CapE is an essential enzyme for the synthesis of capsular polysaccharide (CP) of pathogenic strains of Staphylococcus aureus. Herein we demonstrate that CapE is a 5-inverting 4,6-dehydratase enzyme. However, in the absence of downstream enzymes, CapE catalyzes an additional reaction (5-back-epimerization) affording a by-product under thermodynamic control. Single-crystal X-ray crystallography was employed to identify the structure of the by-product. The structural analysis reveals a network of coordinated motions away from the active site governing the enzymatic activity of CapE. A second dynamic element (the latch) regulates the enzymatic chemoselectivity. The validity of these mechanisms was evaluated by site-directed mutagenesis.
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Dynamic elements govern the catalytic activity of CapE, a capsular polysaccharide-synthesizing enzyme from Staphylococcus aureus.,Miyafusa T, Caaveiro JM, Tanaka Y, Tsumoto K FEBS Lett. 2013 Oct 21. pii: S0014-5793(13)00766-7. doi:, 10.1016/j.febslet.2013.10.009. PMID:24157361<ref>PMID:24157361</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Staam]]
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[[Category: Large Structures]]
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[[Category: Caaveiro, J M.M]]
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[[Category: Staphylococcus aureus subsp. aureus Mu50]]
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[[Category: Miyafusa, T]]
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[[Category: Caaveiro JMM]]
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[[Category: Tanaka, Y]]
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[[Category: Miyafusa T]]
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[[Category: Tsumoto, K]]
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[[Category: Tanaka Y]]
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[[Category: Capsular polysaccharide synthesis]]
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[[Category: Tsumoto K]]
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[[Category: Epimerase]]
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[[Category: Lyase]]
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[[Category: Oxidase]]
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[[Category: Rossmann fold]]
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[[Category: Short-chain dehydrogenase/reductase]]
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Current revision

Crystal structure of capsular polysaccharide synthesizing enzyme CapE from Staphylococcus aureus in complex with by-product

PDB ID 4g5h

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