1hki

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[[Image:1hki.jpg|left|200px]]<br /><applet load="1hki" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1hki.jpg|left|200px]]
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caption="1hki, resolution 2.55&Aring;" />
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'''CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH GLUCOALLOSAMIDIN B'''<br />
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{{Structure
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|PDB= 1hki |SIZE=350|CAPTION= <scene name='initialview01'>1hki</scene>, resolution 2.55&Aring;
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|SITE= <scene name='pdbsite=AC1:Ali+Binding+Site+For+Chain+A'>AC1</scene>
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|LIGAND= <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NA1:METHYL+N-ACETYL+ALLOSAMINE'>NA1</scene> and <scene name='pdbligand=ALI:METHYL N-ACETYL ALLOSAMINE'>ALI</scene>
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|ACTIVITY= [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]
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|GENE=
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}}
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'''CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH GLUCOALLOSAMIDIN B'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1HKI 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 <scene name='pdbligand=NAG:'>NAG</scene>, <scene name='pdbligand=NA1:'>NA1</scene> and <scene name='pdbligand=ALI:'>ALI</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. 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://oca.weizmann.ac.il/oca-bin/ocashort?id=1HKI OCA].
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1HKI is a [[Single protein]] 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].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12639956 12639956]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/12639956 12639956]
[[Category: Chitinase]]
[[Category: Chitinase]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: structure]]
[[Category: structure]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:02:11 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:38:19 2008''

Revision as of 09:38, 20 March 2008

Image:1hki.jpg


PDB ID 1hki

Drag the structure with the mouse to rotate
, resolution 2.55Å
Sites:
Ligands: , and
Activity: Chitinase, with EC number 3.2.1.14
Coordinates: save as pdb, mmCIF, xml



CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH GLUCOALLOSAMIDIN B


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

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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