1hkm
From Proteopedia
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| - | [[Image:1hkm.gif|left|200px]]<br /> | + | [[Image:1hkm.gif|left|200px]]<br /><applet load="1hkm" size="450" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="1hkm" size="450" color="white" frame="true" align="right" spinBox="true" | + | |
caption="1hkm, resolution 2.55Å" /> | caption="1hkm, resolution 2.55Å" /> | ||
'''HIGH RESOLUTION CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH DEMETHYLALLOSAMIDIN'''<br /> | '''HIGH RESOLUTION CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH DEMETHYLALLOSAMIDIN'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1HKM is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with ALI as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] | + | 1HKM is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with ALI as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] Known structural/functional Site: <scene name='pdbsite=AC1:Ali Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1HKM OCA]. |
==Reference== | ==Reference== | ||
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[[Category: hydrolase]] | [[Category: hydrolase]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 16:30:31 2007'' |
Revision as of 14:20, 18 December 2007
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HIGH RESOLUTION CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH DEMETHYLALLOSAMIDIN
Overview
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.
About this Structure
1HKM is a Single protein structure of sequence from Homo sapiens with ALI as ligand. Active as Chitinase, with EC number 3.2.1.14 Known structural/functional Site: . 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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