8OTL

structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol

Summary for 8OTL

• Entry DOI: 10.2210/pdb8otl/pdb
• Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ACETATE ION, ... (6 entities in total)
• Functional Keywords: enoyl-acp-reductase type ii fatty acid synthase mycolic acids tuberculosis therapeutic target, oxidoreductase
• Biological source: Mycobacterium tuberculosis
• Total number of polymer chains: 6
• Total formula weight: 177770.79

Authors

Tamhaev, R.,Maveyraud, L.,Chebaiki, M.,Lherbet, C.,Mourey, L. (deposition date: 2023-04-21, release date: 2024-01-24)

• Primary citation: Tamhaev, R.,Grosjean, E.,Ahamed, H.,Chebaiki, M.,Rodriguez, F.,Recchia, D.,Degiacomi, G.,Pasca, M.R.,Maveyraud, L.,Mourey, L.,Lherbet, C.; Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.; Bioorg.Chem., 143:107032-107032, 2023; PubMed: 38128204; DOI: 10.1016/j.bioorg.2023.107032

Experimental method

X-RAY DIFFRACTION (2.108 Å)