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2gyo
From Proteopedia
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|PDB= 2gyo |SIZE=350|CAPTION= <scene name='initialview01'>2gyo</scene>, resolution 2.00Å | |PDB= 2gyo |SIZE=350|CAPTION= <scene name='initialview01'>2gyo</scene>, resolution 2.00Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=COA:COENZYME+A'>COA</scene>, <scene name='pdbligand=MEE:METHANETHIOL'>MEE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Beta-ketoacyl-acyl-carrier-protein_synthase_I Beta-ketoacyl-acyl-carrier-protein synthase I], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-ketoacyl-acyl-carrier-protein_synthase_I Beta-ketoacyl-acyl-carrier-protein synthase I], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </span> |
|GENE= fabH ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli]) | |GENE= fabH ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1hnd|1HND]], [[1ebl|1EBL]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2gyo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gyo OCA], [http://www.ebi.ac.uk/pdbsum/2gyo PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2gyo RCSB]</span> | ||
}} | }} | ||
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[[Category: Scarsdale, N.]] | [[Category: Scarsdale, N.]] | ||
[[Category: Wright, H T.]] | [[Category: Wright, H T.]] | ||
| - | [[Category: COA]] | ||
| - | [[Category: MEE]] | ||
| - | [[Category: SO4]] | ||
[[Category: alkyl-coa-disulfide]] | [[Category: alkyl-coa-disulfide]] | ||
[[Category: fatty acid biosynthesis]] | [[Category: fatty acid biosynthesis]] | ||
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[[Category: mycobacterium tuberculosis]] | [[Category: mycobacterium tuberculosis]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:23:04 2008'' |
Revision as of 00:23, 31 March 2008
| |||||||
| , resolution 2.00Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Gene: | fabH (Escherichia coli) | ||||||
| Activity: | Beta-ketoacyl-acyl-carrier-protein synthase I, with EC number 2.3.1.41 | ||||||
| Related: | 1HND, 1EBL
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Methanethiol-Cys 112 Inhibition Complex of E. Coli Ketoacyl Synthase III (FabH) and Coenzyme A
Overview
The first step of the reaction catalyzed by the homodimeric FabH from a dissociated fatty acid synthase is acyl transfer from acyl-CoA to an active site cysteine. We report that C1 to C10 alkyl-CoA disulfides irreversibly inhibit Escherichia coli FabH (ecFabH) and Mycobacterium tuberculosis FabH with relative efficiencies that reflect these enzymes' differential acyl-group specificity. Crystallographic and kinetic studies with MeSSCoA show rapid inhibition of one monomer of ecFabH through formation of a methyl disulfide conjugate with this cysteine. Reaction of the second subunit with either MeSSCoA or acetyl-CoA is much slower. In the presence of malonyl-ACP, the acylation rate of the second subunit is restored to that of the native ecFabH. These observations suggest a catalytic model in which a structurally disordered apo-ecFabH dimer orders on binding either the first substrate, acetyl-CoA, or the inhibitor MeSSCoA, and is restored to a disordered state on binding of malonyl-ACP.
About this Structure
2GYO is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.
Reference
Alkyl-CoA disulfides as inhibitors and mechanistic probes for FabH enzymes., Alhamadsheh MM, Musayev F, Komissarov AA, Sachdeva S, Wright HT, Scarsdale N, Florova G, Reynolds KA, Chem Biol. 2007 May;14(5):513-24. PMID:17524982
Page seeded by OCA on Mon Mar 31 03:23:04 2008
Categories: Beta-ketoacyl-acyl-carrier-protein synthase I | Escherichia coli | Single protein | Alhamadsheh, M M. | Florova, G. | Komissarov, A A. | Musayev, F. | Reynolds, K A. | Sachdeva, S. | Scarsdale, N. | Wright, H T. | Alkyl-coa-disulfide | Fatty acid biosynthesis | Mechanism-based inhibitor | Mycobacterium tuberculosis
