6YUU

Crystal structure of M. tuberculosis InhA inhibited by SKTS1

Summary for 6YUU

• Entry DOI: 10.2210/pdb6yuu/pdb
• Related: 6YUR
• Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, ... (6 entities in total)
• Functional Keywords: bacterial enoyl-acp reductase, diphenylether, residence time, oxidoreductase
• Biological source: Mycobacterium tuberculosis CDC1551
• Total number of polymer chains: 1
• Total formula weight: 31969.26

Authors

Eltschkner, S.,Schiebel, J.,Kehrein, J.,Le, T.A.,Davoodi, S.,Merget, B.,Weinrich, J.D.,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; PubMed: 33710875; DOI: 10.1021/acsinfecdis.0c00437

Experimental method

X-RAY DIFFRACTION (2.01 Å)