1P45 | Oxidoreductase | date | Apr 21, 2003 ![]() |
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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 |
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method | X-Ray Diffraction | resolution | 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 |
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Primary reference | Targeting 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 |
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View 1P45 in 3D |
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Visual 3D analysis of 1P45 |
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Structure-derived information |
- Domain d1p45a_, region A [Jmol] [rasmolscript] [script source] - Domain d1p45b_, region B [Jmol] [rasmolscript] [script source] |
Sequence-derived information |
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