6YUR

Crystal structure of S. aureus FabI inhibited by SKTS1

Summary for 6YUR

Entry DOI	10.2210/pdb6yur/pdb
Descriptor	Enoyl-[acyl-carrier-protein] reductase [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, ... (4 entities in total)
Functional Keywords	bacterial enoyl-acp reductase, diphenylether, residence time, oxidoreductase
Biological source	Staphylococcus aureus
Total number of polymer chains	8
Total formula weight	258136.75
Authors	Weinrich, J.D.,Eltschkner, S.,Schiebel, J.,Kehrein, J.,Le, T.A.,Davoodi, S.,Merget, B.,Tonge, P.J.,Engels, B.,Sotriffer, C.A.,Kisker, C. (deposition date: 2020-04-27, release date: 2021-03-24, Last modification date: 2024-01-24)
Primary citation	Eltschkner, S.,Kehrein, J.,Le, T.A.,Davoodi, S.,Merget, B.,Basak, S.,Weinrich, J.D.,Schiebel, J.,Tonge, P.J.,Engels, B.,Sotriffer, C.,Kisker, C. A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. Acs Infect Dis., 7:746-758, 2021 Cited by PubMed: 33710875 DOI: 10.1021/acsinfecdis.0c00437 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.96 Å)

Structure validation