1qsg

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[[Image:1qsg.gif|left|200px]]<br /><applet load="1qsg" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1qsg.gif|left|200px]]
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caption="1qsg, resolution 1.75&Aring;" />
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'''CRYSTAL STRUCTURE OF ENOYL REDUCTASE INHIBITION BY TRICLOSAN'''<br />
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{{Structure
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|PDB= 1qsg |SIZE=350|CAPTION= <scene name='initialview01'>1qsg</scene>, resolution 1.75&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=GLC:GLUCOSE'>GLC</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene> and <scene name='pdbligand=TCL:TRICLOSAN'>TCL</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9]
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|GENE=
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}}
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'''CRYSTAL STRUCTURE OF ENOYL REDUCTASE INHIBITION BY TRICLOSAN'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1QSG is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] with <scene name='pdbligand=GLC:'>GLC</scene>, <scene name='pdbligand=NAD:'>NAD</scene> and <scene name='pdbligand=TCL:'>TCL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QSG OCA].
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1QSG is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QSG OCA].
==Reference==
==Reference==
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Structural basis and mechanism of enoyl reductase inhibition by triclosan., Stewart MJ, Parikh S, Xiao G, Tonge PJ, Kisker C, J Mol Biol. 1999 Jul 23;290(4):859-65. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10398587 10398587]
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Structural basis and mechanism of enoyl reductase inhibition by triclosan., Stewart MJ, Parikh S, Xiao G, Tonge PJ, Kisker C, J Mol Biol. 1999 Jul 23;290(4):859-65. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10398587 10398587]
[[Category: Enoyl-[acyl-carrier-protein] reductase (NADH)]]
[[Category: Enoyl-[acyl-carrier-protein] reductase (NADH)]]
[[Category: Escherichia coli]]
[[Category: Escherichia coli]]
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[[Category: oxidoreductase]]
[[Category: oxidoreductase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:43:17 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:42:06 2008''

Revision as of 11:42, 20 March 2008


PDB ID 1qsg

Drag the structure with the mouse to rotate
, resolution 1.75Å
Ligands: , and
Activity: [acyl-carrier-protein_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number 1.3.1.9
Coordinates: save as pdb, mmCIF, xml



CRYSTAL STRUCTURE OF ENOYL REDUCTASE INHIBITION BY TRICLOSAN


Overview

The enoyl-acyl carrier protein reductase (ENR) is involved in bacterial fatty acid biosynthesis and is the target of the antibacterial diazaborine compounds and the front-line antituberculosis drug isoniazid. Recent studies suggest that ENR is also the target for the broad-spectrum biocide triclosan. The 1.75 A crystal structure of EnvM, the ENR from Escherichia coli, in complex with triclosan and NADH reveals that triclosan binds specifically to EnvM. These data provide a molecular mechanism for the antibacterial activity of triclosan and substantiate the hypothesis that its activity results from inhibition of a specific cellular target rather than non-specific disruption of the bacterial cell membrane. This has important implications for the emergence of drug-resistant bacteria, since triclosan is an additive in many personal care products such as toothpastes, mouthwashes and soaps. Based on this structure, rational design of triclosan derivatives is possible which might be effective against recently identified triclosan-resistant bacterial strains.

About this Structure

1QSG is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.

Reference

Structural basis and mechanism of enoyl reductase inhibition by triclosan., Stewart MJ, Parikh S, Xiao G, Tonge PJ, Kisker C, J Mol Biol. 1999 Jul 23;290(4):859-65. PMID:10398587 [[Category: Enoyl-[acyl-carrier-protein] reductase (NADH)]]

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