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2hnc

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{{STRUCTURE_2hnc| PDB=2hnc | SCENE= }}
{{STRUCTURE_2hnc| PDB=2hnc | SCENE= }}
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'''Crystal structure of the human carbonic anhydrase II in complex with the 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.'''
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===Crystal structure of the human carbonic anhydrase II in complex with the 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.===
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==Overview==
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The X-ray crystal structures of 5-amino-1,3,4-thiadiazole-2-sulfonamide (the acetazolamide precursor) and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfona mide in complex with the human isozyme II of carbonic anhydrase (CA, EC 4.2.1.1) are reported. The thiadiazole-sulfonamide moiety of the two compounds binds in the canonic manner to the zinc ion and interacts with Thr199, Glu106, and Thr200. The substituted phenyl tail of the second inhibitor was positioned in the hydrophobic part of the binding pocket, at van der Waals distance from Phe131, Val 135, Val141, Leu198, Pro202, and Leu204. These structures may help in the design of better inhibitors of these widespread zinc-containing enzymes.
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(as it appears on PubMed at http://www.pubmed.gov), where 17000110 is the PubMed ID number.
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{{ABSTRACT_PUBMED_17000110}}
==About this Structure==
==About this Structure==
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[[Category: Simone, G De.]]
[[Category: Simone, G De.]]
[[Category: Protein-inhibitor complex]]
[[Category: Protein-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 06:29:03 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 11:00:10 2008''

Revision as of 08:00, 29 July 2008

Image:2hnc.png

Template:STRUCTURE 2hnc

Crystal structure of the human carbonic anhydrase II in complex with the 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.

Template:ABSTRACT PUBMED 17000110

About this Structure

2HNC is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfona mide to human isoform II., Menchise V, De Simone G, Di Fiore A, Scozzafava A, Supuran CT, Bioorg Med Chem Lett. 2006 Dec 15;16(24):6204-8. Epub 2006 Sep 26. PMID:17000110

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