2hnc

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[[Image:2hnc.jpg|left|200px]]
[[Image:2hnc.jpg|left|200px]]
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{{Structure
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|PDB= 2hnc |SIZE=350|CAPTION= <scene name='initialview01'>2hnc</scene>, resolution 1.55&Aring;
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The line below this paragraph, containing "STRUCTURE_2hnc", creates the "Structure Box" on the page.
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|SITE=
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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=1SA:5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE'>1SA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MBO:MERCURIBENZOIC+ACID'>MBO</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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|DOMAIN=
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{{STRUCTURE_2hnc| PDB=2hnc | SCENE= }}
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|RELATEDENTRY=[[1ca2|1CA2]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2hnc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hnc OCA], [http://www.ebi.ac.uk/pdbsum/2hnc PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2hnc RCSB]</span>
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}}
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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.'''
'''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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[[Category: Menchise, V.]]
[[Category: Menchise, V.]]
[[Category: Simone, G De.]]
[[Category: Simone, G De.]]
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[[Category: protein-inhibitor complex]]
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[[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 Mon Mar 31 03:32:39 2008''
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Revision as of 03:29, 4 May 2008

Image:2hnc.jpg

Template:STRUCTURE 2hnc

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


Overview

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.

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 Page seeded by OCA on Sun May 4 06:29:03 2008

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