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1bn4

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{{STRUCTURE_1bn4| PDB=1bn4 | SCENE= }}
{{STRUCTURE_1bn4| PDB=1bn4 | SCENE= }}
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'''CARBONIC ANHYDRASE II INHIBITOR'''
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===CARBONIC ANHYDRASE II INHIBITOR===
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==Overview==
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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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(as it appears on PubMed at http://www.pubmed.gov), where 9865942 is the PubMed ID number.
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{{ABSTRACT_PUBMED_9865942}}
==About this Structure==
==About this Structure==
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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 11:43:15 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jun 30 19:24:25 2008''

Revision as of 16:24, 30 June 2008

Image:1bn4.png

Template:STRUCTURE 1bn4

CARBONIC ANHYDRASE II INHIBITOR

Template:ABSTRACT PUBMED 9865942

About this Structure

1BN4 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

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:9865942

Page seeded by OCA on Mon Jun 30 19:24:25 2008

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