1hki

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{{STRUCTURE_1hki| PDB=1hki | SCENE= }}
{{STRUCTURE_1hki| PDB=1hki | SCENE= }}
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'''CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH GLUCOALLOSAMIDIN B'''
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===CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH GLUCOALLOSAMIDIN B===
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==Overview==
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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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(as it appears on PubMed at http://www.pubmed.gov), where 12639956 is the PubMed ID number.
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{{ABSTRACT_PUBMED_12639956}}
==About this Structure==
==About this Structure==
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[[Category: Hydrolase]]
[[Category: Hydrolase]]
[[Category: Structure]]
[[Category: Structure]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 18:56:41 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 08:18:59 2008''

Revision as of 05:19, 1 July 2008

Image:1hki.png

Template:STRUCTURE 1hki

CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH GLUCOALLOSAMIDIN B

Template:ABSTRACT PUBMED 12639956

About this Structure

1HKI is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

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

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