1o6i

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{{STRUCTURE_1o6i| PDB=1o6i | SCENE= }}
 
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===Chitinase B from Serratia marcescens complexed with the catalytic intermediate mimic cyclic dipeptide CI4.===
 
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{{ABSTRACT_PUBMED_12323074}}
 
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==About this Structure==
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==Chitinase B from Serratia marcescens complexed with the catalytic intermediate mimic cyclic dipeptide CI4.==
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[[1o6i]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1O6I OCA].
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<StructureSection load='1o6i' size='340' side='right'caption='[[1o6i]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1o6i]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1O6I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1O6I 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]] 1.7&#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=0HZ:AMINO({3-[(3S,8AS)-1,4-DIOXOOCTAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL]PROPYL}AMINO)METHANIMINIUM'>0HZ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=1o6i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1o6i OCA], [https://pdbe.org/1o6i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1o6i RCSB], [https://www.ebi.ac.uk/pdbsum/1o6i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1o6i ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CHIB_SERMA CHIB_SERMA]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/o6/1o6i_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1o6i ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Family 18 chitinases are attractive targets for the development of new inhibitors with chemotherapeutic potential against fungi, insects and protozoan/nematodal parasites. Although several inhibitors have been identified, these are based on complex chemistry, which hampers iterative structure-based optimization. Here we report the details of chitinase inhibition by the natural product peptide CI-4 [ cyclo -(L-Arg-D-Pro)], which possesses activity against the human pathogenic fungus Candida albicans, and describe a 1.7 A (0.17 nm) crystal structure of CI-4 in complex with the enzyme. The structure reveals that the cyclic dipeptide inhibits chitinases by structurally mimicking a reaction intermediate, and could, on the basis of its accessible chemistry, be a candidate for further optimization.
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==See Also==
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The cyclic dipeptide CI-4 [cyclo-(l-Arg-d-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate.,Houston DR, Eggleston I, Synstad B, Eijsink VG, van Aalten DM Biochem J. 2002 Nov 15;368(Pt 1):23-7. PMID:12323074<ref>PMID:12323074</ref>
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*[[Chitinase|Chitinase]]
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<ref group="xtra">PMID:012323074</ref><ref group="xtra">PMID:014960716</ref><references group="xtra"/>
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</div>
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[[Category: Chitinase]]
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<div class="pdbe-citations 1o6i" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Chitinase 3D structures|Chitinase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Serratia marcescens]]
[[Category: Serratia marcescens]]
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[[Category: Aalten, D M.F Van.]]
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[[Category: Eggleston I]]
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[[Category: Eggleston, I.]]
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[[Category: Eijsink VGH]]
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[[Category: Eijsink, V G.H.]]
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[[Category: Houston DR]]
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[[Category: Houston, D R.]]
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[[Category: Synstad B]]
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[[Category: Synstad, B.]]
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[[Category: Van Aalten DMF]]
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[[Category: Catalytic intermediate mimic]]
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[[Category: Chitinase]]
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[[Category: Cyclic dipeptide]]
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[[Category: Hydrolase- hydrolase inhibitor complex]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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Current revision

Chitinase B from Serratia marcescens complexed with the catalytic intermediate mimic cyclic dipeptide CI4.

PDB ID 1o6i

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