View source for 8j7j


==crystal structure of SulE mutant==
<StructureSection load='8j7j' size='340' side='right'caption='[[8j7j]], [[Resolution|resolution]] 1.54&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[8j7j]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Hansschlegelia_zhihuaiae Hansschlegelia zhihuaiae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8J7J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8J7J 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]] 1.54&#8491;</td></tr>
<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=R4O:methyl+3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate'>R4O</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</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=8j7j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8j7j OCA], [https://pdbe.org/8j7j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8j7j RCSB], [https://www.ebi.ac.uk/pdbsum/8j7j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8j7j ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/G9I933_9HYPH G9I933_9HYPH] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
SulE, an esterase, which detoxifies a variety of sulfonylurea herbicides through de-esterification, provides an attractive approach to remove environmental sulfonylurea herbicides and develop herbicide-tolerant crops. Here, we determined the crystal structures of SulE and an activity improved mutant P44R. Structural analysis revealed that SulE is a dimer with spacious binding pocket accommodating the large sulfonylureas substrate. Particularly, SulE contains a protruding beta hairpin with a lid loop covering the active site of the other subunit of the dimer. The lid loop participates in substrate recognition and binding. P44R mutation altered the lid loop flexibility, resulting in the sulfonylurea heterocyclic ring repositioning to a relative stable conformation thus leading to dramatically increased activity. Our work provides important insights into the molecular mechanism of SulE, and establish a solid foundation for further improving the enzyme activity to various sulfonylurea herbicides through rational design.

Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.,Liu B, Wang W, Qiu J, Huang X, Qiu S, Bao Y, Xu S, Ruan L, Ran T, He J Nat Commun. 2023 Jul 19;14(1):4343. doi: 10.1038/s41467-023-40103-5. PMID:37468532<ref>PMID:37468532</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 8j7j" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Hansschlegelia zhihuaiae]]
[[Category: Large Structures]]
[[Category: He J]]
[[Category: Liu B]]
[[Category: Ran T]]
[[Category: Wang W]]