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PDBe Entry: 2qnz view

Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl)-O-decyl ester carbono(dithioperoxoic) acid
Summary
Header TRANSFERASEsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 2.3 Å, R-factor: 16.959%, Free R-factor: 22.236%, Spacegroup: C 2 2 21
Released 06/05/2008, deposition: 19/07/2007, last revision: 24/02/2009
Authors Sachdeva, S.search; Musayev, F.search; Alhamadsheh, M.search; Scarsdale, J.N.search; Wright, H.T.search; Reynolds, K.A.search
Primary citation Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
CHEM.BIOL.search vol:15, pag:402-412 (2008) [PubMed ID 18420147 ]search
Keywords FATTY ACID BIOSYNTHESISsearch, MYOBACTERIUM TUBERCULOSISsearch, STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITYsearch, ENZYME INHIBITOR COMPLEXsearch, MECHANISM BASED INHIBITORsearch, Acyltransferasesearch, Cytoplasmsearch, Lipid synthesissearch, Multifunctional enzymesearch, Transferasesearch
EC 2.3.1.180 ExPASy BRENDA search (A B)
Organism Mycobacterium tuberculosis 1773search(A B)
UniProt 3-oxoacyl-[acyl-carrier-protein] synthase 3 (EC 2.3.1.180) (3-oxoacyl-[acyl-carrier-protein] synthase III) (Beta-ketoacyl-ACP synthase III) (KAS III) (MtFabH) P0A574search (A B)
Solvent A, B
Related entries 1u6s, 1hzp, 1u6e, 1hnj, 1hnk, 2qnx, 2qny, 2qo0, 2qo1
Polymers
Id Name Type UniProt Residues Observed
A, B 3-oxoacyl-[acyl-carrier-protein] synthase 3 Protein P0A574 (FABH_MYCTU)search
335 98%
Heterogens
Id Name Ligands
A, B DECYL FORMATE DFD search
A, B BETA-MERCAPTOETHANOL BME search
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