1P45 Oxidoreductase date Apr 21, 2003
title Targeting Tuberculosis And Malaria Through Inhibition Of Enoyl Reductase: Compound Activity And Structural Data
authors M.R.Kuo, H.R.Morbidoni, D.Alland, S.F.Sneddon, B.B.Gourlie, M.M.Staveski, M.Leonard, J.S.Gregory, A.D.Janjigian, C.Yee, J.M.Musser, B.N.Kreiswirth, H.Iwamoto, R.Perozzo, W.R.Jacobs Jr., J.C.Sacchettini, D.A.Fidock, Tb Structural Genomics Consortium (Tbsgc)
compound source
Molecule: Enoyl-[Acyl-Carrier-Protein] Reductase [Nadh]
Chain: A, B
Synonym: Nadh-Dependent Enoyl-Acp Reductase
Ec: 1.3.1.9
Engineered: Yes
 Organism_scientific: Mycobacterium Tuberculosis
Organism_common: Bacteria
Gene: Inha Or Rv1484 Or Mt1531 Or Mtcy277.05
Expression_system: Escherichia Coli
Expression_system_common: Bacteria
symmetry Space Group: I 21 21 21
R_factor 0.225
crystal
cell
length a length b length c angle alpha angle beta angle gamma
94.822 104.120 189.746 90.00 90.00 90.00
method X-Ray Diffractionresolution 2.60 Å
ligand NAD, TCL enzyme Enoyl-[acyl-carrier-protein] reductase (NADH);. Enoyl-[acyl carrier protein] reductase;. Enoyl-ACP reductase;. NADH-enoyl acyl carrier protein reductase;. NADH-specific enoyl-ACP reductase;. Enoyl-[acyl-carrier-protein] reductase (NADH2). Oxidoreductase E.C.1.3.1.9 BRENDA
similarity Fabisubfamily. Belongs to the short-chain dehydrogenases/reductases (sdr) family.
subunit Homotetramer.
catalytic activ. Acyl-[acyl-carrier protein] + nad(+) = trans- 2,3-dehydroacyl-[acyl-carrier protein] + nadh.
pathway Second reductive step in fatty acid biosynthesis. This isozyme is involved in mycolic acid biosynthesis.
genes fabI (E. coli); fabI (H. pylori); MT1531, inhA (M. tuberculosis)
function Involved in the resistance against the antituberculosis drugs isoniazid and ethionamide.
Gene
Ontology
ChainFunctionProcessComponent
A, B
  • enoyl-[acyl-carrier-protein]...
  • oxidoreductase activity
  • fatty acid biosynthetic proc...
  • metabolic process
  • lipid biosynthetic process
  • response to antibiotic

    • Primary referenceTargeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data., Kuo MR, Morbidoni HR, Alland D, Sneddon SF, Gourlie BB, Staveski MM, Leonard M, Gregory JS, Janjigian AD, Yee C, Musser JM, Kreiswirth B, Iwamoto H, Perozzo R, Jacobs WR Jr, Sacchettini JC, Fidock DA, J Biol Chem 2003 Jun 6;278(23):20851-9. Epub 2003 Feb 26. PMID:12606558
    Data retrieval
  • Asymmetric unit, PDB entry: [header only] [complete with coordinates] (101 Kb) [Save to disk]
  • Biological Unit Coordinates (1p45.pdb1.gz) 168 Kb
  • CSU: Contacts of Structural Units for 1P45
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  • InterPro: IPR002347
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