3s6t

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[[Image:3s6t.jpg|left|200px]]
 
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==Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 V327G complexed with PUGNAc==
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The line below this paragraph, containing "STRUCTURE_3s6t", creates the "Structure Box" on the page.
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<StructureSection load='3s6t' size='340' side='right'caption='[[3s6t]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3s6t]] 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=3S6T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3S6T FirstGlance]. <br>
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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]] 2.3&#8491;</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=OAN:O-(2-ACETAMIDO-2-DEOXY+D-GLUCOPYRANOSYLIDENE)+AMINO-N-PHENYLCARBAMATE'>OAN</scene></td></tr>
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{{STRUCTURE_3s6t| PDB=3s6t | SCENE= }}
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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=3s6t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3s6t OCA], [https://pdbe.org/3s6t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3s6t RCSB], [https://www.ebi.ac.uk/pdbsum/3s6t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3s6t ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/HEXC_OSTFU HEXC_OSTFU] Hydrolyzes one beta-GlcNAc unit at a time from the non-reducing ends of substrates, with a preference for shorter substrates. The 2-acetamido group and the beta-glycoside bond linkage in the substrate are required for its activity. Active with p-nitrophenyl (pNP)-beta-GlcNAc, pNP-beta-GalNAc and chitooligosaccharides (degree of polymerization from 2 to 6), but not with the complex N-glycan substrate (GlcNAcbeta-1,2Manalpha-1,6)(GlcNAcbeta-1,2Manalpha-1,3)Manbeta-1,4GlcNAcbeta-1,4GlcNAc-PA (GnGn-PA), pNP-alpha-GlcNAc or with the long polymer colloidal chitin. Involved in chitin catabolism (PubMed:18959754). Involved in the degradation of old cuticle during the pupation stage (PubMed:21106526).<ref>PMID:18959754</ref> <ref>PMID:21106526</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Chitinolytic beta-N-acetyl-D-hexosaminidase is a branch of GH20 beta-N-acetyl-D-hexosaminidase that is only distributed in insects and microorganisms, and is therefore a potential target for the action of insecticides. O-(2-acetamido-2-deoxy-D-glucopyransylidene)-amino-N-phenylcarbamate (PUGNAc) was initially identified as an inhibitor against GH20 beta-N-acetyl-D-hexosaminidases. So far no crystal structure of PUGNAc in complex with any GH20 beta-N-acetyl-D-hexosaminidase has been reported. We showed here the sensitivities of chitinolytic beta-N-acetyl-D-hexosaminidases towards PUGNAc can vary in 100 folds, with the order being OfHex1 (insect beta-N-acetyl-D-hexosaminidase from Ostrinia furnacalis)&lt; SmCHB (bacterial chitobiase from Serratia marcescens)&lt; SpHex (bacterial beta-N-acetyl-D-hexosaminidase from Streptomyces plicatus). To explain this difference, the crystal structures of wide-type OfHex1 as well as mutant OfHex1 (V327G) in complex with PUGNAc were determined at 2.0-A and 2.3-A resolutions and aligned with the complex structures of SpHex and SmCHB. The result showed that the sensitivities of these enzymes to PUGNAc was dedicated by the active pocket size, with OfHex1 having the largest but with the narrowest entrance, while SpHex having the smallest, suitable for holding the inhibitor, whereas that of SmCHB having the widest entrance. By widening the size of the active pocket entrance of OfHex1 through replacing active site Val327 with Gly, sensitivity of OfHex1 to PUGNAc became similar to that of SmCHB. The structural differences among chitinolytic beta-N-acetyl-D-hexosaminidases leading to different sensitivities to PUGNAc may be useful for developing species-specific pesticides and bactericides.
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===Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 V327G complexed with PUGNAc===
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Active-pocket size differentiating insectile from bacterial chitinolytic beta-N-acetyl-D-hexosaminidases.,Liu T, Zhang H, Liu F, Chen L, Shen X, Yang Q Biochem J. 2011 Jun 21. PMID:21692744<ref>PMID:21692744</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 3s6t" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Beta-N-acetylhexosaminidase 3D structures|Beta-N-acetylhexosaminidase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 21692744 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_21692744}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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[[3s6t]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Ostrinia_furnacalis Ostrinia furnacalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3S6T OCA].
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==Reference==
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<ref group="xtra">PMID:021692744</ref><references group="xtra"/>
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[[Category: Beta-N-acetylhexosaminidase]]
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[[Category: Ostrinia furnacalis]]
[[Category: Ostrinia furnacalis]]
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[[Category: Liu, T.]]
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[[Category: Liu T]]
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[[Category: Shen, X.]]
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[[Category: Shen X]]
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[[Category: Yang, Q.]]
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[[Category: Yang Q]]
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[[Category: Zhang, H.]]
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[[Category: Zhang H]]
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[[Category: Beta-n-acetyl-d-hexosaminidase]]
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[[Category: Hydrolase]]
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Current revision

Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 V327G complexed with PUGNAc

PDB ID 3s6t

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