1cra

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[[Image:1cra.gif|left|200px]]
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{{STRUCTURE_1cra| PDB=1cra | SCENE= }}
{{STRUCTURE_1cra| PDB=1cra | SCENE= }}
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'''THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE'''
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===THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE===
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==Overview==
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The X-ray crystal structure of the complex between human carbonic anhydrase II and the inhibitor 1,2,4-triazole has been refined at 1.9 A resolution to a final R-factor of 0.153. Triazole is an analogue of the competitive inhibitor imidazole, but the crystal structure shows a different type of binding to the enzyme. 1,2,4-Triazole is directly bound to the zinc(II) ion through the nitrogen in position 4, replacing the native water/hydroxyl (Wat263) in a distorted four-co-ordinated complex. The interaction of the inhibitor with the active site is completed by two hydrogen bonds to O gamma of Thr200 and to the amide nitrogen atom of Thr199 through the two adjacent N-1 and N-2 atoms. The binding site of triazole overlaps the proposed binding sites for the substrates, explaining the observed competitive behaviour of the inhibitor towards CO2/HCO3- under equilibrium conditions.
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(as it appears on PubMed at http://www.pubmed.gov), where 8331673 is the PubMed ID number.
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{{ABSTRACT_PUBMED_8331673}}
==About this Structure==
==About this Structure==
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[[Category: Liljas, A.]]
[[Category: Liljas, A.]]
[[Category: Mangani, S.]]
[[Category: Mangani, S.]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 13:02:10 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jun 30 21:12:29 2008''

Revision as of 18:12, 30 June 2008

Image:1cra.png

Template:STRUCTURE 1cra

THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE

Template:ABSTRACT PUBMED 8331673

About this Structure

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

Reference

Crystal structure of the complex between human carbonic anhydrase II and the aromatic inhibitor 1,2,4-triazole., Mangani S, Liljas A, J Mol Biol. 1993 Jul 5;232(1):9-14. PMID:8331673

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