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: 24616444DOI: 10.1002/cmdc.201300429 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.848 Å) |
Structure validation
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