2pou

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[[Image:2pou.gif|left|200px]]
[[Image:2pou.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2pou |SIZE=350|CAPTION= <scene name='initialview01'>2pou</scene>, resolution 1.60&Aring;
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The line below this paragraph, containing "STRUCTURE_2pou", 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=I7A:4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE'>I7A</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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-->
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|DOMAIN=
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{{STRUCTURE_2pou| PDB=2pou | SCENE= }}
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|RELATEDENTRY=[[2pov|2POV]], [[2pow|2POW]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2pou FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pou OCA], [http://www.ebi.ac.uk/pdbsum/2pou PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2pou RCSB]</span>
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}}
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'''The crystal structure of the human carbonic anhydrase II in complex with 4,5-dichloro-benzene-1,3-disulfonamide'''
'''The crystal structure of the human carbonic anhydrase II in complex with 4,5-dichloro-benzene-1,3-disulfonamide'''
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[[Category: Alterio, V.]]
[[Category: Alterio, V.]]
[[Category: Simone, G De.]]
[[Category: Simone, G De.]]
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[[Category: carbonic anhydrase ii]]
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[[Category: Carbonic anhydrase ii]]
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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 13:33:28 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:38:53 2008''
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Revision as of 10:33, 4 May 2008

Image:2pou.gif

Template:STRUCTURE 2pou

The crystal structure of the human carbonic anhydrase II in complex with 4,5-dichloro-benzene-1,3-disulfonamide


Overview

Three benzene-1,3-disulfonamide derivatives were investigated for their interaction with 12 mammalian alpha-carbonic anhydrases (CAs, EC 4.2.1.1), and three bacterial/archaeal CAs belonging to the alpha-, beta-, and gamma-CA class, respectively. X-ray crystal structure of the three inhibitors in complex with the dominant human isozyme CA II revealed a particular binding mode within the cavity. The sulfonamide group in meta-position to the Zn(2+)-coordinated SO(2)NH(2) moiety was oriented toward the hydrophilic side of the active site cleft, establishing hydrogen bonds with His64, Asn67, Gln92, and Thr200. The plane of the phenyl moiety of the inhibitors was rotated by 45 degrees and tilted by 10 degrees with respect to its most recurrent orientation in other CA II-sulfonamide complexes.

About this Structure

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

Reference

Carbonic anhydrase inhibitors: inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides--solution and crystallographic studies., Alterio V, De Simone G, Monti SM, Scozzafava A, Supuran CT, Bioorg Med Chem Lett. 2007 Aug 1;17(15):4201-7. Epub 2007 May 18. PMID:17540563 Page seeded by OCA on Sun May 4 13:33:28 2008

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