2cl5
From Proteopedia
(New page: 200px<br /> <applet load="2cl5" size="450" color="white" frame="true" align="right" spinBox="true" caption="2cl5, resolution 1.60Å" /> '''CATECHOL-O-METHYLTR...) |
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==About this Structure== | ==About this Structure== | ||
| - | 2CL5 is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]] with MG, SAM, BIE, BU3 and MES as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/ ]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.6 2.1.1.6]]. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2CL5 OCA]]. | + | 2CL5 is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]] with MG, SAM, BIE, BU3 and MES as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Catechol_O-methyltransferase Catechol O-methyltransferase]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.6 2.1.1.6]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2CL5 OCA]]. |
==Reference== | ==Reference== | ||
Comparative study of ortho- and meta-nitrated inhibitors of catechol-O-methyltransferase: interactions with the active site and regioselectivity of O-methylation., Palma PN, Rodrigues ML, Archer M, Bonifacio MJ, Loureiro AI, Learmonth DA, Carrondo MA, Soares-da-Silva P, Mol Pharmacol. 2006 Jul;70(1):143-53. Epub 2006 Apr 17. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16618795 16618795] | Comparative study of ortho- and meta-nitrated inhibitors of catechol-O-methyltransferase: interactions with the active site and regioselectivity of O-methylation., Palma PN, Rodrigues ML, Archer M, Bonifacio MJ, Loureiro AI, Learmonth DA, Carrondo MA, Soares-da-Silva P, Mol Pharmacol. 2006 Jul;70(1):143-53. Epub 2006 Apr 17. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16618795 16618795] | ||
| + | [[Category: Catechol O-methyltransferase]] | ||
[[Category: Rattus norvegicus]] | [[Category: Rattus norvegicus]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: transmembrane]] | [[Category: transmembrane]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 12:17:42 2007'' |
Revision as of 10:12, 30 October 2007
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CATECHOL-O-METHYLTRANSFERASE IN COMPLEX WITH AN INHIBITOR
Overview
In this work, we present a comparative case study of "ortho-" and, "meta-nitrated" catecholic inhibitors of catechol-O-methyltransferase, (COMT), with regard to their interaction with the catalytic site of the, enzyme and the in vitro regioselective formation of their mono-O-methyl, ether metabolites. In particular, the effects of altering the attachment, position of the inhibitors' side-chain substituent, within the classic, nitrocatechol pharmacophore, were investigated. For this purpose, we, compared two simple regioisomeric nitrocatechol-type inhibitors of COMT, BIA 3-228 and BIA 8-176, which contain the benzoyl substituent attached at, the meta and ortho positions, respectively, relative to the nitro group., The two compounds were slowly O-methylated by COMT in vitro, but the, ... [(full description)]
About this Structure
2CL5 is a [Single protein] structure of sequence from [Rattus norvegicus] with MG, SAM, BIE, BU3 and MES as [ligands]. Active as [Catechol O-methyltransferase], with EC number [2.1.1.6]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
Reference
Comparative study of ortho- and meta-nitrated inhibitors of catechol-O-methyltransferase: interactions with the active site and regioselectivity of O-methylation., Palma PN, Rodrigues ML, Archer M, Bonifacio MJ, Loureiro AI, Learmonth DA, Carrondo MA, Soares-da-Silva P, Mol Pharmacol. 2006 Jul;70(1):143-53. Epub 2006 Apr 17. PMID:16618795
Page seeded by OCA on Tue Oct 30 12:17:42 2007
Categories: Catechol O-methyltransferase | Rattus norvegicus | Single protein | Archer, M. | Bonifacio, M.J. | Carrondo, M.A. | Learmonth, D. | Loureiro, A.I. | Palma, P.N. | Rodrigues, M.L. | Soares-Da-Silva, P. | BIE | BU3 | MES | MG | SAM | Alternative initiation | Catechol-o-methyltransferase | Catecholamine metabolism | Comt inhibitor | Magnesium | Membrane | Metal-binding | Methyltransferase | Neurotransmitter degradation | Phosphorylation | Signal-anchor | Transferase | Transmembrane
