1eou
From Proteopedia
(New page: 200px<br /> <applet load="1eou" size="450" color="white" frame="true" align="right" spinBox="true" caption="1eou, resolution 2.10Å" /> '''CRYSTAL STRUCTURE O...) |
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caption="1eou, resolution 2.10Å" /> | caption="1eou, resolution 2.10Å" /> | ||
'''CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE'''<br /> | '''CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1EOU 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 ZN and SMS 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:// | + | 1EOU 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=ZN:'>ZN</scene> and <scene name='pdbligand=SMS:'>SMS</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=1EOU OCA]. |
==Reference== | ==Reference== | ||
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[[Category: protein-inhibitor complex]] | [[Category: protein-inhibitor complex]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 15:44:25 2008'' |
Revision as of 13:44, 15 February 2008
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE
Contents |
Overview
The fructose-based sugar sulphamate RWJ-37497, a potent analogue of the, widely used anti-epileptic drug topiramate, possesses anti-convulsant and, carbonic anhydrase-inhibitory activities. We have studied the binding, interactions of RWJ-37497 in the active site of human carbonic anhydrase, II by X-ray crystallography. The atomic positions of the enzyme inhibitor, complex were refined at a resolution of 2.1 A (1 A=0.1 nm) to the final, crystallographic R and R(free) values of 0.18 and 0.23, respectively. The, inhibitor co-ordinates to the active-site zinc ion through its oxygen atom, and the ionized nitrogen atom of the sulphamate group by replacing the, metal-bound water molecules, although the sulphamoyl oxygen atom provides, a rather lengthy co-ordination. The 4,5-cyclic sulphate group is, positioned in a hydrophobic pocket of the active site, making contacts, with the residues Phe-131, Leu-198, Pro-201 and Pro-202. Since the ligand, was found to be intact, concerns about RWJ-37947 irreversibly alkylating, the enzyme through its 4,5-cyclic sulphate group were dispelled.
Disease
Known disease associated with this structure: Osteopetrosis, autosomal recessive 3, with renal tubular acidosis OMIM:[611492]
About this Structure
1EOU 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.
Reference
Crystal structure of human carbonic anhydrase II complexed with an anti-convulsant sugar sulphamate., Recacha R, Costanzo MJ, Maryanoff BE, Chattopadhyay D, Biochem J. 2002 Feb 1;361(Pt 3):437-41. PMID:11802772
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