5G0S

InhA in complex with a DNA encoded library hit

Summary for 5G0S

Entry DOI	10.2210/pdb5g0s/pdb
Related	5G0T 5G0U 5G0V 5G0W
Descriptor	ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, ... (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	118050.34
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 Cited by PubMed: 27864515 DOI: 10.1073/PNAS.1610978113 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.74 Å)

Structure validation