4OYR
Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding
Summary for 4OYR
Entry DOI | 10.2210/pdb4oyr/pdb |
Descriptor | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 2-(2-chloranylphenoxy)-5-hexyl-phenol, ... (4 entities in total) |
Functional Keywords | bacterial fatty acid biosynthesis, enzyme-inhibitor complex, substrate-binding loop refolding, induced-fit, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Mycobacterium tuberculosis |
Total number of polymer chains | 4 |
Total formula weight | 126777.47 |
Authors | Li, H.J.,Pan, P.,Lai, C.T.,Liu, N.,Garcia-Diaz, M.,Simmerling, C.,Tonge, P.J. (deposition date: 2014-02-13, release date: 2014-04-30, Last modification date: 2023-09-27) |
Primary citation | Li, H.J.,Lai, C.T.,Pan, P.,Yu, W.,Liu, N.,Bommineni, G.R.,Garcia-Diaz, M.,Simmerling, C.,Tonge, P.J. A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9:986-993, 2014 Cited by PubMed: 24527857DOI: 10.1021/cb400896g PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2995 Å) |
Structure validation
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