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TitleThe Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 59, Page 10549-10556, Year 2020
Publish dateNov 1, 2019 (structure data deposition date)
AuthorsFage, C.D. / Lathouwers, T. / Vanmeert, M. / Gao, L.J. / Vrancken, K. / Lammens, E.M. / Weir, A.N.M. / Degroote, R. / Cuppens, H. / Kosol, S. ...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.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:32208550
MethodsX-ray diffraction
Resolution2.45 - 2.55 Å
Structure data

PDB-6tbb:
Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin A (batumin)
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-6tbc:
Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin B
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-KAL:
Kalimantacin

ChemComp-HOH:
WATER

ChemComp-N5H:
(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

Source
  • staphylococcus aureus (bacteria)
KeywordsBIOSYNTHETIC PROTEIN / enoyl-[acyl carrier protein] reductase / fatty acid biosynthesis / Rossmann fold / short-chain dehydrogenase/reductase

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