4OIM

Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT119 in 2.4 M acetate

Summary for 4OIM

Entry DOI	10.2210/pdb4oim/pdb
Related	4OHU
Descriptor	Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ... (5 entities in total)
Functional Keywords	inhibition, high-concentration acetate, slow-onset inhibition, substrate binding loop conformational heterogeneity, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	1
Total formula weight	32334.42
Authors	Li, H.J.,Pan, P.,Lai, C.T.,Liu, N.,Garcia-Diaz, M.,Simmerling, C.,Tonge, P.J. (deposition date: 2014-01-20, release date: 2014-04-23, Last modification date: 2023-09-20)
Primary citation	Pan, P.,Knudson, S.E.,Bommineni, G.R.,Li, H.J.,Lai, C.T.,Liu, N.,Garcia-Diaz, M.,Simmerling, C.,Patil, S.S.,Slayden, R.A.,Tonge, P.J. Time-Dependent Diaryl Ether Inhibitors of InhA: Structure-Activity Relationship Studies of Enzyme Inhibition, Antibacterial Activity, and in vivo Efficacy. Chemmedchem, 9:776-791, 2014 Cited by PubMed: 24616444 DOI: 10.1002/cmdc.201300429 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.848 Å)

Structure validation