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4q7i

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==Crystal structure of engineered thermostable D-tagatose 3-epimerase PcDTE-Var8==
==Crystal structure of engineered thermostable D-tagatose 3-epimerase PcDTE-Var8==
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<StructureSection load='4q7i' size='340' side='right' caption='[[4q7i]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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<StructureSection load='4q7i' size='340' side='right'caption='[[4q7i]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4q7i]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4Q7I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4Q7I FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4q7i]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4Q7I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4Q7I 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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</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]] 1.8&#8491;</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=4q7i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q7i OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4q7i RCSB], [http://www.ebi.ac.uk/pdbsum/4q7i PDBsum]</span></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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></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=4q7i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q7i OCA], [https://pdbe.org/4q7i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4q7i RCSB], [https://www.ebi.ac.uk/pdbsum/4q7i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4q7i ProSAT]</span></td></tr>
</table>
</table>
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== Function ==
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[https://www.uniprot.org/uniprot/A0A0A6YVN8_ECOLI A0A0A6YVN8_ECOLI]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Functional promiscuity of enzymes can often be harnessed as the starting point for the directed evolution of novel biocatalysts. Here we describe the divergent morphing of an engineered thermostable variant (Var8) of a promiscuous D-tagatose epimerase (DTE) into two efficient catalysts for the C3 epimerization of D-fructose to D-psicose and of L-sorbose to L-tagatose. Iterative single-site randomization and screening of 48 residues in the first and second shells around the substrate-binding site of Var8 yielded the eight-site mutant IDF8 (ninefold improved kcat for the epimerization of D-fructose) and the six-site mutant ILS6 (14-fold improved epimerization of L-sorbose), compared to Var8. Structure analysis of IDF8 revealed a charged patch at the entrance of its active site; this presumably facilitates entry of the polar substrate. The improvement in catalytic activity of variant ILS6 is thought to relate to subtle changes in the hydration of the bound substrate. The structures can now be used to select additional sites for further directed evolution of the ketohexose epimerase.
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Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates.,Bosshart A, Hee CS, Bechtold M, Schirmer T, Panke S Chembiochem. 2015 Feb 5. doi: 10.1002/cbic.201402620. PMID:25655925<ref>PMID:25655925</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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<div class="pdbe-citations 4q7i" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Bosshart, A.]]
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[[Category: Escherichia coli K-12]]
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[[Category: Hee, C S.]]
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[[Category: Large Structures]]
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[[Category: Schirmer, T.]]
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[[Category: Bosshart A]]
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[[Category: Epimerase]]
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[[Category: Hee CS]]
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[[Category: Isomerase]]
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[[Category: Schirmer T]]
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[[Category: Tim-barrel]]
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Current revision

Crystal structure of engineered thermostable D-tagatose 3-epimerase PcDTE-Var8

PDB ID 4q7i

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