6TBC

Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin B

Summary for 6TBC

• Entry DOI: 10.2210/pdb6tbc/pdb
• Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid, ... (4 entities in total)
• Functional Keywords: enoyl-[acyl carrier protein] reductase, fatty acid biosynthesis, rossmann fold, short-chain dehydrogenase/reductase, biosynthetic protein
• Biological source: Staphylococcus aureus
• Total number of polymer chains: 8
• Total formula weight: 238075.17

Authors

Fage, C.D.,Masschelein, J. (deposition date: 2019-11-01, release date: 2020-04-01, Last modification date: 2024-01-24)

• Primary citation: Fage, C.D.,Lathouwers, T.,Vanmeert, M.,Gao, L.J.,Vrancken, K.,Lammens, E.M.,Weir, A.N.M.,Degroote, R.,Cuppens, H.,Kosol, S.,Simpson, T.J.,Crump, M.P.,Willis, C.L.,Herdewijn, P.,Lescrinier, E.,Lavigne, R.,Anne, J.,Masschelein, J.; The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI.; Angew.Chem.Int.Ed.Engl., 59:10549-10556, 2020; PubMed: 32208550; DOI: 10.1002/anie.201915407

Experimental method

X-RAY DIFFRACTION (2.55 Å)