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: 33710875DOI: 10.1021/acsinfecdis.0c00437 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.96 Å) |
Structure validation
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