1hki

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{{Seed}}
 
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[[Image:1hki.png|left|200px]]
 
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==Crystal structure of human chitinase in complex with glucoallosamidin B==
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The line below this paragraph, containing "STRUCTURE_1hki", creates the "Structure Box" on the page.
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<StructureSection load='1hki' size='340' side='right'caption='[[1hki]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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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'>[[1hki]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HKI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1HKI FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 2.55&#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=ALI:METHYL+N-ACETYL+ALLOSAMINE'>ALI</scene>, <scene name='pdbligand=NA1:METHYL+N-ACETYL+ALLOSAMINE'>NA1</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
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{{STRUCTURE_1hki| PDB=1hki | 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=1hki FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hki OCA], [https://pdbe.org/1hki PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1hki RCSB], [https://www.ebi.ac.uk/pdbsum/1hki PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1hki ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CHIT1_HUMAN CHIT1_HUMAN] Degrades chitin, chitotriose and chitobiose. May participate in the defense against nematodes and other pathogens. Isoform 3 has no enzymatic activity.<ref>PMID:7592832</ref> <ref>PMID:7836450</ref> <ref>PMID:9748235</ref>
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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/hk/1hki_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=1hki 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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The pseudotrisaccharide allosamidin is a potent family 18 chitinase inhibitor with demonstrated biological activity against insects, fungi, and the Plasmodium falciparum life cycle. The synthesis and biological properties of several derivatives have been reported. The structural interactions of allosamidin with several family 18 chitinases have been determined by x-ray crystallography previously. Here, a high resolution structure of chitotriosidase, the human macrophage chitinase, in complex with allosamidin is presented. In addition, complexes of the allosamidin derivatives demethylallosamidin, methylallosamidin, and glucoallosamidin B are described, together with their inhibitory properties. Similar to other chitinases, inhibition of the human chitinase by allosamidin derivatives lacking a methyl group is 10-fold stronger, and smaller effects are observed for the methyl and C3 epimer derivatives. The structures explain the effects on inhibition in terms of altered hydrogen bonding and hydrophobic interactions, together with displaced water molecules. The data reported here represent a first step toward structure-based design of specific allosamidin derivatives.
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===CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH GLUCOALLOSAMIDIN B===
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Crystal structures of allosamidin derivatives in complex with human macrophage chitinase.,Rao FV, Houston DR, Boot RG, Aerts JM, Sakuda S, van Aalten DM J Biol Chem. 2003 May 30;278(22):20110-6. Epub 2003 Mar 14. PMID:12639956<ref>PMID:12639956</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 1hki" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_12639956}}, adds the Publication Abstract to the page
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*[[Chitinase 3D structures|Chitinase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 12639956 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_12639956}}
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__TOC__
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</StructureSection>
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==About this Structure==
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1HKI is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HKI OCA].
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==Reference==
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<ref group="xtra">PMID:12639956</ref><references group="xtra"/>
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[[Category: Chitinase]]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Aalten, D M.F Van.]]
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[[Category: Large Structures]]
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[[Category: Aerts, J M.F G.]]
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[[Category: Aerts JMFG]]
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[[Category: Boot, R G.]]
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[[Category: Boot RG]]
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[[Category: Houston, D R.]]
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[[Category: Houston DR]]
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[[Category: Rao, F V.]]
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[[Category: Rao FV]]
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[[Category: Sakuda, S.]]
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[[Category: Sakuda S]]
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[[Category: Allosamidin]]
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[[Category: Van Aalten DMF]]
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[[Category: Glucoallosamidin b]]
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[[Category: Human chitinase]]
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[[Category: Hydrolase]]
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[[Category: Structure]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Feb 16 12:22:27 2009''
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Current revision

Crystal structure of human chitinase in complex with glucoallosamidin B

PDB ID 1hki

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