2qnx

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{{STRUCTURE_2qnx| PDB=2qnx | SCENE= }}
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'''Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-[(decyloxycarbonyl)dithio]-undecanoic acid'''
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===Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-[(decyloxycarbonyl)dithio]-undecanoic acid===
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==Overview==
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Mycobacterium tuberculosis FabH initiates type II fatty acid synthase-catalyzed formation of the long chain (C(16)-C(22)) acyl-coenzyme A (CoA) precursors of mycolic acids, which are major constituents of the bacterial cell envelope. Crystal structures of M. tuberculosis FabH (mtFabH) show the substrate binding site to be a buried, extended L-shaped channel with only a single solvent access portal. Entrance of an acyl-CoA substrate through the solvent portal would require energetically unfavorable reptational threading of the substrate to its reactive position. Using a class of FabH inhibitors, we have tested an alternative hypothesis that FabH exists in an "open" form during substrate binding and product release, and a "closed" form in which catalysis and intermediate steps occur. This hypothesis is supported by mass spectrometric analysis of the product profile and crystal structures of complexes of mtFabH with these inhibitors.
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{{ABSTRACT_PUBMED_18420147}}
==About this Structure==
==About this Structure==
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==Reference==
==Reference==
Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH., Sachdeva S, Musayev FN, Alhamadsheh MM, Scarsdale JN, Wright HT, Reynolds KA, Chem Biol. 2008 Apr;15(4):402-12. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18420147 18420147]
Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH., Sachdeva S, Musayev FN, Alhamadsheh MM, Scarsdale JN, Wright HT, Reynolds KA, Chem Biol. 2008 Apr;15(4):402-12. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18420147 18420147]
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Crystal structure of the Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III., Scarsdale JN, Kazanina G, He X, Reynolds KA, Wright HT, J Biol Chem. 2001 Jun 8;276(23):20516-22. Epub 2001 Mar 8. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11278743 11278743]
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Crystal structure of a substrate complex of Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FabH) with lauroyl-coenzyme A., Musayev F, Sachdeva S, Scarsdale JN, Reynolds KA, Wright HT, J Mol Biol. 2005 Mar 11;346(5):1313-21. Epub 2005 Jan 20. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15713483 15713483]
[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]
[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
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[[Category: Structural basis for substrate specificity]]
[[Category: Structural basis for substrate specificity]]
[[Category: Transferase]]
[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed May 7 08:40:49 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 00:56:44 2008''

Revision as of 21:56, 28 July 2008

Image:2qnx.png

Template:STRUCTURE 2qnx

Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-[(decyloxycarbonyl)dithio]-undecanoic acid

Template:ABSTRACT PUBMED 18420147

About this Structure

2QNX is a Single protein structure of sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA.

Reference

Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH., Sachdeva S, Musayev FN, Alhamadsheh MM, Scarsdale JN, Wright HT, Reynolds KA, Chem Biol. 2008 Apr;15(4):402-12. PMID:18420147

Crystal structure of the Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III., Scarsdale JN, Kazanina G, He X, Reynolds KA, Wright HT, J Biol Chem. 2001 Jun 8;276(23):20516-22. Epub 2001 Mar 8. PMID:11278743

Crystal structure of a substrate complex of Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FabH) with lauroyl-coenzyme A., Musayev F, Sachdeva S, Scarsdale JN, Reynolds KA, Wright HT, J Mol Biol. 2005 Mar 11;346(5):1313-21. Epub 2005 Jan 20. PMID:15713483

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