3chc

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[[Image:3chc.jpg|left|200px]]
[[Image:3chc.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 3chc |SIZE=350|CAPTION= <scene name='initialview01'>3chc</scene>, resolution 1.90&Aring;
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The line below this paragraph, containing "STRUCTURE_3chc", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:So4+Binding+Site+For+Residue+A+434'>AC1</scene>, <scene name='pdbsite=AC2:So4+Binding+Site+For+Residue+A+435'>AC2</scene>, <scene name='pdbsite=AC3:So4+Binding+Site+For+Residue+B+434'>AC3</scene>, <scene name='pdbsite=AC4:So4+Binding+Site+For+Residue+B+435'>AC4</scene>, <scene name='pdbsite=AC5:So4+Binding+Site+For+Residue+A+436'>AC5</scene>, <scene name='pdbsite=AC6:So4+Binding+Site+For+Residue+B+436'>AC6</scene>, <scene name='pdbsite=AC7:So4+Binding+Site+For+Residue+A+437'>AC7</scene>, <scene name='pdbsite=AC8:So4+Binding+Site+For+Residue+B+437'>AC8</scene>, <scene name='pdbsite=AC9:So4+Binding+Site+For+Residue+B+438'>AC9</scene>, <scene name='pdbsite=BC1:So4+Binding+Site+For+Residue+A+438'>BC1</scene>, <scene name='pdbsite=BC2:So4+Binding+Site+For+Residue+B+439'>BC2</scene>, <scene name='pdbsite=BC3:Zrg+Binding+Site+For+Residue+A+439'>BC3</scene> and <scene name='pdbsite=BC4:Zrg+Binding+Site+For+Residue+B+440'>BC4</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZRG:N~2~-ACETYL-N-METHYL-N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINAMIDE'>ZRG</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|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>
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or leave the SCENE parameter empty for the default display.
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|GENE= chiB1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5085 Aspergillus fumigatus])
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-->
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|DOMAIN=<span class='plainlinks'>[http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=smart00636 Glyco_18], [http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=pfam00704 Glyco_hydro_18]</span>
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{{STRUCTURE_3chc| PDB=3chc | SCENE= }}
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|RELATEDENTRY=[[1w9v|1W9V]], [[1w9p|1W9P]], [[3ch9|3CH9]], [[3chd|3CHD]], [[3che|3CHE]], [[3chf|3CHF]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3chc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3chc OCA], [http://www.ebi.ac.uk/pdbsum/3chc PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=3chc RCSB]</span>
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}}
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'''Crystal structure of Aspergillus fumigatus chitinase B1 in complex with monopeptide'''
'''Crystal structure of Aspergillus fumigatus chitinase B1 in complex with monopeptide'''
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[[Category: Aalten, D M.F van.]]
[[Category: Aalten, D M.F van.]]
[[Category: Andersen, O A.]]
[[Category: Andersen, O A.]]
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[[Category: (beta-alpha)8 barrel]]
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[[Category: Chitinase]]
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[[Category: chitinase]]
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[[Category: Glycosidase]]
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[[Category: glycosidase]]
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[[Category: Hydrolase]]
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[[Category: hydrolase]]
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[[Category: Peptide inhibitor]]
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[[Category: peptide inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 21:46:50 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Apr 2 11:32:51 2008''
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Revision as of 18:46, 4 May 2008

Image:3chc.jpg

Template:STRUCTURE 3chc

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with monopeptide


Overview

Chitinase inhibitors have chemotherapeutic potential as fungicides, pesticides, and antiasthmatics. Argifin, a natural product cyclopentapeptide, competitively inhibits family 18 chitinases in the nanomolar to micromolar range and shows extensive substrate mimicry. In an attempt to map the active fragments of this large natural product, the cyclopentapeptide was progressively dissected down to four linear peptides and dimethylguanylurea, synthesized using a combination of solution and solid phase peptide synthesis. The peptide fragments inhibit chitinase B1 from Aspergillus fumigatus (AfChiB1), the human chitotriosidase, and chitinase activity in lung homogenates from a murine model of chronic asthma, with potencies ranging from high nanomolar to high micromolar inhibition. X-ray crystallographic analysis of the chitinase-inhibitor complexes revealed that the conformations of the linear peptides were remarkably similar to that of the natural product. Strikingly, the dimethylguanylurea fragment, representing only a quarter of the natural product mass, was found to harbor all significant interactions with the protein and binds with unusually high efficiency. The data provide useful information that could lead to the generation of drug-like, natural product-based chitinase inhibitors.

About this Structure

3CHC is a Single protein structure of sequence from Aspergillus fumigatus. Full crystallographic information is available from OCA.

Reference

Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin., Andersen OA, Nathubhai A, Dixon MJ, Eggleston IM, van Aalten DM, Chem Biol. 2008 Mar;15(3):295-301. PMID:18355729 Page seeded by OCA on Sun May 4 21:46:50 2008

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