View source for 3wqw


==Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex with a(GlcN)6==
<StructureSection load='3wqw' size='340' side='right'caption='[[3wqw]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3wqw]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Ostrinia_furnacalis Ostrinia furnacalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WQW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WQW 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&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=GCS:D-GLUCOSAMINE'>GCS</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</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=3wqw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqw OCA], [https://pdbe.org/3wqw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wqw RCSB], [https://www.ebi.ac.uk/pdbsum/3wqw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wqw ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q2V6H4_OSTFU Q2V6H4_OSTFU] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Small-molecule inhibitors against chitinases have potential applications as pesticides, fungicides, and antiasthmatics. Here, we report a series of fully deacetylated chitooligosaccharides (GlcN)2-7 can act as inhibitors against the insect chitinase OfChtI, the human chitinase HsCht, and the bacterial chitinases SmChiA and SmChiB with IC50 values at muM to mM levels. The injection of mixed (GlcN)2-7 into the 5th instar larvae of the insect Ostrinia furnacalis resulted in 85% of the larvae being arrested at the larval stage and death after 10 days, also suggesting (GlcN)2-7 might inhibit OfChtI in vivo. Crystal structures of the catalytic domain of OfChtI (OfChtI-CAD) complexed with (GlcN)5, 6 were obtained at resolutions of 2.0 A. These structures, together with mutagenesis and thermodynamic analysis, suggested that the inhibition was strongly related to the interaction between the -1 GlcN residue of the inhibitor and the catalytic E148 of the enzyme. Structure-based comparison showed that the fully deacetylated chitooligosaccharides mimic the substrate chitooligosaccharides by binding in the active cleft. This work first reports the inhibitory activity and proposed inhibitory mechanism of fully deacetylated chitooligosaccharides. Because the fully deacetylated chitooligosaccharides can be easily derived from chitin, one of the most abundant nature materials, this work also provides a platform for developing eco-friendly inhibitors against chitinases.

Fully deacetylated chitooligosaccharides act as efficient glycoside hydrolase family18 chitinase inhibitors.,Chen L, Zhou Y, Qu M, Zhao Y, Yang Q J Biol Chem. 2014 May 14. pii: jbc.M114.564534. PMID:24828498<ref>PMID:24828498</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3wqw" style="background-color:#fffaf0;"></div>

==See Also==
*[[Chitinase 3D structures|Chitinase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Ostrinia furnacalis]]
[[Category: Chen L]]
[[Category: Yang Q]]
[[Category: Zhou Y]]