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: 27864515DOI: 10.1073/PNAS.1610978113 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.74 Å) |
Structure validation
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