5G0T

InhA in complex with a DNA encoded library hit

Summary for 5G0T

• Entry DOI: 10.2210/pdb5g0t/pdb
• Related: 5G0S 5G0U 5G0V 5G0W
• Descriptor: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, ... (4 entities in total)
• Functional Keywords: oxidoreductase, inha, acp enoyl reductase, dna encoded library, del, tuberculosis
• Biological source: MYCOBACTERIUM TUBERCULOSIS
• Total number of polymer chains: 4
• Total formula weight: 119011.32

Authors

Read, J.A.,Breed, J. (deposition date: 2016-03-22, release date: 2016-11-30, Last modification date: 2024-01-10)

• Primary citation: Soutter, H.H.,Centrella, P.,Clark, M.A.,Cuozzo, J.W.,Dumelin, C.E.,Guie, M.-A.,Habeshian, S.,Keefe, A.D.,Kennedy, K.M.,Sigel, E.A.,Troast, D.M.,Zhang, Y.,Ferguson, A.D.,Davies, G.,Stead, E.R.,Breed, J.,Madhavapeddi, P.,Read, J.A.; Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology; Proc.Natl.Acad.Sci.USA, 113:E7780-, 2016; PubMed: 27864515; DOI: 10.1073/PNAS.1610978113

Experimental method

X-RAY DIFFRACTION (1.54 Å)