1bnm

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[[Image:1bnm.jpg|left|200px]]
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[[Image:1bnm.png|left|200px]]
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==Overview==
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{{ABSTRACT_9865942}}
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X-ray crystal structures of carbonic anhydrase II (CAII) complexed with sulfonamide inhibitors illuminate the structural determinants of high affinity binding in the nanomolar regime. The primary binding interaction is the coordination of a primary sulfonamide group to the active site zinc ion. Secondary interactions fine-tune tight binding in regions of the active site cavity &gt;5 A away from zinc, and this work highlights three such features: (1) advantageous conformational restraints of a bicyclic thienothiazene-6-sulfonamide-1,1-dioxide inhibitor skeleton in comparison with a monocyclic 2,5-thiophenedisulfonamide skeleton; (2) optimal substituents attached to a secondary sulfonamide group targeted to interact with hydrophobic patches defined by Phe131, Leu198, and Pro202; and (3) optimal stereochemistry and configuration at the C-4 position of bicyclic thienothiazene-6-sulfonamides; the C-4 substituent can interact with His64, the catalytic proton shuttle. Structure-activity relationships rationalize affinity trends observed during the development of brinzolamide (Azopt), the newest carbonic anhydrase inhibitor approved for the treatment of glaucoma.
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==About this Structure==
==About this Structure==
1BNM is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1BNM OCA].
1BNM is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1BNM OCA].
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==Reference==
 
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Structural analysis of inhibitor binding to human carbonic anhydrase II., Boriack-Sjodin PA, Zeitlin S, Chen HH, Crenshaw L, Gross S, Dantanarayana A, Delgado P, May JA, Dean T, Christianson DW, Protein Sci. 1998 Dec;7(12):2483-9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9865942 9865942]
 
[[Category: Carbonate dehydratase]]
[[Category: Carbonate dehydratase]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Lyase]]
[[Category: Lyase]]
[[Category: Zinc enzyme]]
[[Category: Zinc enzyme]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 11:44:20 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Jun 27 06:14:39 2008''

Revision as of 03:14, 27 June 2008

Image:1bnm.png

Template:STRUCTURE 1bnm

CARBONIC ANHYDRASE II INHIBITOR


Template:ABSTRACT 9865942

About this Structure

1BNM is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Page seeded by OCA on Fri Jun 27 06:14:39 2008

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