1bn3: Difference between revisions
New page: left|200px<br /> <applet load="1bn3" size="450" color="white" frame="true" align="right" spinBox="true" caption="1bn3, resolution 2.2Å" /> '''CARBONIC ANHYDRASE I... |
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'''CARBONIC ANHYDRASE II INHIBITOR'''<br /> | '''CARBONIC ANHYDRASE II INHIBITOR'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
1BN3 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with HG, ZN and AL6 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http:// | 1BN3 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=HG:'>HG</scene>, <scene name='pdbligand=ZN:'>ZN</scene> and <scene name='pdbligand=AL6:'>AL6</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1BN3 OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: zinc enzyme]] | [[Category: zinc enzyme]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 15:32:38 2008'' | ||
Revision as of 16:32, 15 February 2008
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CARBONIC ANHYDRASE II INHIBITOR
OverviewOverview
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 >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.
DiseaseDisease
Known disease associated with this structure: Osteopetrosis, autosomal recessive 3, with renal tubular acidosis OMIM:[611492]
About this StructureAbout this Structure
1BN3 is a Single protein structure of sequence from Homo sapiens with , and as ligands. Active as Carbonate dehydratase, with EC number 4.2.1.1 Full crystallographic information is available from OCA.
ReferenceReference
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
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