4OXY

Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA

Summary for 4OXY

Entry DOI	10.2210/pdb4oxy/pdb
Related	2B36 2X23 4OHU 4OXK 4OXN
Descriptor	Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 5-hexyl-2-(2-nitrophenoxy)phenol, ... (4 entities in total)
Functional Keywords	bacterial fatty acid biosynthesis, enzyme-inhibitor complex, substrate-binding loop refolding, conformational heterogeneity, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	4
Total formula weight	126819.68
Authors	Li, H.J.,Sullivan, T.J.,Pan, P.,Lai, C.T.,Liu, N.,Garcia-Diaz, M.,Simmerling, C.,Tonge, P.J. (deposition date: 2014-02-09, 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: 24527857 DOI: 10.1021/cb400896g PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3501 Å)

Structure validation