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Structure paper

TitleAlkyl-CoA Disulfides as Inhibitors and Mechanistic Probes for FabH Enzymes
Journal, issue, pagesChem. Biol., Vol. 14, Page 513-524, Year 2007
Publish dateFeb 24, 2007 (structure data deposition date)
AuthorsAlhamadsheh, M.M. / Musayev, F. / Komissarov, A.A. / Sachdeva, S. / Wright, H.T. / Scarsdale, N. / Florova, G. / Reynolds, K.A.
External linksChem. Biol. / PubMed:17524982
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-2eft:
Methanethiol-CYS 112 inhibition complex of E. coli ketoacyl synthase III (FABH) and Coenzyme A (high concentration (1.7mM) soak)
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2gyo:
Methanethiol-Cys 112 Inhibition Complex of E. Coli Ketoacyl Synthase III (FabH) and Coenzyme A
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-COA:
COENZYME A

ChemComp-MEE:
METHANETHIOL

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
KeywordsTRANSFERASE / FATTY ACID BIOSYNTHESIS / ALKYL-COA-DISULFIDE / MECHANISM-BASED INHIBITOR / E. COLI / HALF SITES OCCUPANCY / mycobacterium tuberculosis

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