1cra

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[[Image:1cra.gif|left|200px]]
[[Image:1cra.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1cra |SIZE=350|CAPTION= <scene name='initialview01'>1cra</scene>, resolution 1.9&Aring;
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The line below this paragraph, containing "STRUCTURE_1cra", 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=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=HG:MERCURY+(II)+ION'>HG</scene>, <scene name='pdbligand=TRI:1,2,4-TRIAZOLE'>TRI</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_1cra| PDB=1cra | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1cra FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1cra OCA], [http://www.ebi.ac.uk/pdbsum/1cra PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1cra RCSB]</span>
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}}
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'''THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE'''
'''THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE'''
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[[Category: Liljas, A.]]
[[Category: Liljas, A.]]
[[Category: Mangani, S.]]
[[Category: Mangani, S.]]
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[[Category: lyase(oxo-acid)]]
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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 Sun Mar 30 19:27:08 2008''
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Revision as of 10:02, 2 May 2008

Image:1cra.gif

Template:STRUCTURE 1cra

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


Overview

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.

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 Page seeded by OCA on Fri May 2 13:02:10 2008

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