1uh5

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[[Image:1uh5.jpg|left|200px]]<br /><applet load="1uh5" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1uh5.jpg|left|200px]]
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caption="1uh5, resolution 2.20&Aring;" />
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'''Crystal Structure of Enoyl-ACP Reductase with Triclosan at 2.2angstroms'''<br />
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{{Structure
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|PDB= 1uh5 |SIZE=350|CAPTION= <scene name='initialview01'>1uh5</scene>, resolution 2.20&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=TCL:TRICLOSAN'>TCL</scene> and <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</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= FabI ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5833 Plasmodium falciparum])
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}}
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'''Crystal Structure of Enoyl-ACP Reductase with Triclosan at 2.2angstroms'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1UH5 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum] with <scene name='pdbligand=TCL:'>TCL</scene> and <scene name='pdbligand=NAD:'>NAD</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=1UH5 OCA].
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1UH5 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UH5 OCA].
==Reference==
==Reference==
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Structural basis for the variation in triclosan affinity to enoyl reductases., Pidugu LS, Kapoor M, Surolia N, Surolia A, Suguna K, J Mol Biol. 2004 Oct 8;343(1):147-55. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15381426 15381426]
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Structural basis for the variation in triclosan affinity to enoyl reductases., Pidugu LS, Kapoor M, Surolia N, Surolia A, Suguna K, J Mol Biol. 2004 Oct 8;343(1):147-55. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15381426 15381426]
[[Category: Enoyl-[acyl-carrier-protein] reductase (NADH)]]
[[Category: Enoyl-[acyl-carrier-protein] reductase (NADH)]]
[[Category: Plasmodium falciparum]]
[[Category: Plasmodium falciparum]]
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[[Category: triclosan]]
[[Category: triclosan]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:24:26 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:31:56 2008''

Revision as of 12:32, 20 March 2008

Image:1uh5.jpg


PDB ID 1uh5

Drag the structure with the mouse to rotate
, resolution 2.20Å
Ligands: and
Gene: FabI (Plasmodium falciparum)
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-ACP Reductase with Triclosan at 2.2angstroms


Overview

Bacteria synthesize fatty acids in a dissociated type pathway different from that in humans. Enoyl acyl carrier protein reductase, which catalyzes the final step of fatty acid elongation, has been validated as a potential anti-microbial drug target. Triclosan is known to inhibit this enzyme effectively. Precise characterization of the mode of triclosan binding is required to develop highly specific inhibitors. With this in view, interactions between triclosan, the cofactor NADH/NAD+ and the enzyme from five different species, one plant and four of microbial origin, have been examined in the available crystal structures. A comparison of these structures shows major structural differences at the substrate/inhibitor/cofactor-binding loop. The analysis reveals that the conformation of this flexible loop and the binding affinities of triclosan to each of these enzymes are strongly correlated.

About this Structure

1UH5 is a Single protein structure of sequence from Plasmodium falciparum. Full crystallographic information is available from OCA.

Reference

Structural basis for the variation in triclosan affinity to enoyl reductases., Pidugu LS, Kapoor M, Surolia N, Surolia A, Suguna K, J Mol Biol. 2004 Oct 8;343(1):147-55. PMID:15381426 [[Category: Enoyl-[acyl-carrier-protein] reductase (NADH)]]

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