4FS3

Crystal structure of Staphylococcus aureus enoyl-ACP reductase in complex with NADP and AFN-1252

Summary for 4FS3

• Entry DOI: 10.2210/pdb4fs3/pdb
• Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI, [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, ... (4 entities in total)
• Functional Keywords: rossmann fold, short chain dehydrogenase, nadph binding, oxidoreductase
• Biological source: Staphylococcus aureus subsp. aureus
• Total number of polymer chains: 1
• Total formula weight: 29147.76

Authors

Kaplan, N.,Yethon, J.,Bardouniotis, E.,Thalakada, R.,Albert, M.,Awrey, D.E.,Romanov, V.,Dorsey, M.,Ramnauth, J.,Clarke, T.E.,Schmid, M.B.,Berman, J.,Pauls, H.W. (deposition date: 2012-06-26, release date: 2012-09-19, Last modification date: 2023-09-13)

• Primary citation: Kaplan, N.,Albert, M.,Awrey, D.,Bardouniotis, E.,Berman, J.,Clarke, T.,Dorsey, M.,Hafkin, B.,Ramnauth, J.,Romanov, V.,Schmid, M.B.,Thalakada, R.,Yethon, J.,Pauls, H.W.; Mode of Action, In Vitro Activity, and In Vivo Efficacy of AFN-1252, a Selective Antistaphylococcal FabI Inhibitor.; Antimicrob.Agents Chemother., 56:5865-5874, 2012; PubMed: 22948878; DOI: 10.1128/AAC.01411-12

Experimental method

X-RAY DIFFRACTION (1.8 Å)