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6iyl
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | The | + | ==The structure of EntE with 3-cyanobenzoyl adenylate analog== |
| + | <StructureSection load='6iyl' size='340' side='right'caption='[[6iyl]], [[Resolution|resolution]] 2.56Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[6iyl]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_1303 Escherichia coli 1303]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6IYL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6IYL 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]] 2.56Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=B1X:5-O-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine'>B1X</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=6iyl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6iyl OCA], [https://pdbe.org/6iyl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6iyl RCSB], [https://www.ebi.ac.uk/pdbsum/6iyl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6iyl ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/ENTE_ECOLI ENTE_ECOLI] Activates the carboxylate group of 2,3-dihydroxy-benzoate (2,3-DHB), via ATP-dependent PPi exchange reactions, to the acyladenylate. Then, catalyzes the acylation of holo-EntB with 2,3-DHB adenylate, preparing that molecule for amide bond formation with L-serine. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Adenylation (A) domains act as the gatekeepers of non-ribosomal peptide synthetases (NRPSs) ensuring the activation and thioesterification of the correct amino acid/aryl acid building blocks. Aryl acid building blocks are most commonly observed in iron-chelating siderophores, but are not limited to them. The non-ribosomal codes toward aryl acid substrates are poorly understood. Very little is known about the reprogramming of aryl acid A-domains. Here we show that a single asparagine-to-glycine mutation in an aryl acid A-domain creates novel enzyme specificities toward a wide range of non-native aryl acids. The engineered catalyst is capable of activating the non-native aryl acids functionalized with nitro, cyano, bromo, and iodo, even though no enzymatic activity of wild-type enzyme was observed toward these substrates. Co-crystal structures with non-hydrolysable aryl-AMP analogues revealed the origins of substrate promiscuity expansion, highlighting an enlarged substrate binding pocket of the enzyme. Our finding may be exploited to produce diversified aryl acid-containing natural products and serve as a template for further directed evolution in combinatorial biosynthesis. | ||
| - | + | An engineered aryl acid adenylation domain with a capacious active site microenvironment.,Ishikawa F, Miyanaga A, Kitayama H, Nakamura S, Nakanishi I, Kudo F, Eguchi T, Tanabe G Angew Chem Int Ed Engl. 2019 Apr 3. doi: 10.1002/anie.201900318. PMID:30945421<ref>PMID:30945421</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: Ishikawa | + | <div class="pdbe-citations 6iyl" style="background-color:#fffaf0;"></div> |
| - | [[Category: Miyanaga | + | == References == |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Escherichia coli 1303]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Ishikawa F]] | ||
| + | [[Category: Miyanaga A]] | ||
Current revision
The structure of EntE with 3-cyanobenzoyl adenylate analog
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