2EFT

Methanethiol-CYS 112 inhibition complex of E. coli ketoacyl synthase III (FABH) and Coenzyme A (high concentration (1.7mM) soak)

Summary for 2EFT

• Entry DOI: 10.2210/pdb2eft/pdb
• Related: 1EBL 1HND 2GYO
• Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, SULFATE ION, COENZYME A, ... (5 entities in total)
• Functional Keywords: fatty acid biosynthesis, alkyl-coa-disulfide, mechanism-based inhibitor, e. coli, half sites occupancy, transferase
• Biological source: Escherichia coli
• Cellular location: Cytoplasm: P0A6R0
• Total number of polymer chains: 2
• Total formula weight: 68149.93

Authors

Alhamadsheh, M.M.,Musayev, F.,Komissarov, A.A.,Sachdeva, S.,Wright, H.T.,Scarsdale, N.,Florova, G.,Reynolds, K.A. (deposition date: 2007-02-24, release date: 2007-06-12, Last modification date: 2023-10-25)

• Primary citation: Alhamadsheh, M.M.,Musayev, F.,Komissarov, A.A.,Sachdeva, S.,Wright, H.T.,Scarsdale, N.,Florova, G.,Reynolds, K.A.; Alkyl-CoA Disulfides as Inhibitors and Mechanistic Probes for FabH Enzymes; Chem.Biol., 14:513-524, 2007; PubMed: 17524982; DOI: 10.1016/j.chembiol.2007.03.013

Experimental method

X-RAY DIFFRACTION (2 Å)