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3chc

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{{STRUCTURE_3chc| PDB=3chc | SCENE= }}
{{STRUCTURE_3chc| PDB=3chc | SCENE= }}
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'''Crystal structure of Aspergillus fumigatus chitinase B1 in complex with monopeptide'''
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===Crystal structure of Aspergillus fumigatus chitinase B1 in complex with monopeptide===
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==Overview==
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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.
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(as it appears on PubMed at http://www.pubmed.gov), where 18355729 is the PubMed ID number.
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{{ABSTRACT_PUBMED_18355729}}
==About this Structure==
==About this Structure==
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[[Category: Hydrolase]]
[[Category: Hydrolase]]
[[Category: Peptide inhibitor]]
[[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 Tue Jul 29 00:56:45 2008''

Revision as of 21:56, 28 July 2008

Image:3chc.png

Template:STRUCTURE 3chc

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with monopeptide

Template:ABSTRACT PUBMED 18355729

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

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