1hkk: Difference between revisions

Revision as of 18:56, 2 May 2008

HIGH RESOULTION CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH ALLOSAMIDIN

OverviewOverview

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 StructureAbout this Structure

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

ReferenceReference

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 Page seeded by OCA on Fri May 2 18:56:50 2008

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OCA

@@ Line 1: / Line 1: @@
 [[Image:1hkk.jpg|left|200px]]
- {{Structure
+<!--
-|PDB= 1hkk |SIZE=350|CAPTION= <scene name='initialview01'>1hkk</scene>, resolution 1.85&Aring;
+The line below this paragraph, containing "STRUCTURE_1hkk", creates the "Structure Box" on the page.
-|SITE= <scene name='pdbsite=AC1:Zn+Binding+Site+For+Chain+A'>AC1</scene>
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=AMI:ALLOSAMIZOLINE'>AMI</scene>, <scene name='pdbligand=NAA:N-ACETYL-D-ALLOSAMINE'>NAA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY= <span class='plainlinks'>[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] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_1hkk|  PDB=1hkk  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1hkk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hkk OCA], [http://www.ebi.ac.uk/pdbsum/1hkk PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1hkk RCSB]</span>
-}}
 '''HIGH RESOULTION CRYSTAL STRUCTURE OF HUMAN CHITINASE IN COMPLEX WITH ALLOSAMIDIN'''
@@ Line 32: / Line 29: @@
 [[Category: Rao, F V.]]
 [[Category: Sakuda, S.]]
-[[Category: allosamidin]]
+[[Category: Allosamidin]]
-[[Category: chitin degradation]]
+[[Category: Chitin degradation]]
-[[Category: crystal structure]]
+[[Category: Crystal structure]]
-[[Category: human chitinase]]
+[[Category: Human chitinase]]
-[[Category: hydrolase]]
+[[Category: Hydrolase]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 18:56:50 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:06:44 2008''