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PDBsum entry 1i30

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protein ligands Protein-protein interface(s) links
Oxidoreductase PDB id
1i30
Jmol
Contents
Protein chains
248 a.a. *
Ligands
NAD ×2
826 ×2
Waters ×337
* Residue conservation analysis
PDB id:
1i30
Name: Oxidoreductase
Title: E. Coli enoyl reductase +NAD+sb385826
Structure: Enoyl-[acyl-carrier-protein] reductase [nadh]. Chain: a, b. Synonym: enoyl-acp reductase. Engineered: yes
Source: Escherichia coli. Organism_taxid: 562. Expressed in: escherichia coli. Expression_system_taxid: 562
Biol. unit: Tetramer (from PDB file)
Resolution:
2.40Å     R-factor:   0.209     R-free:   0.277
Authors: M.A.Seefeld,W.H.Miller,D.J.Payne,C.A.Janson,X.Qiu
Key ref: M.A.Seefeld et al. (2001). Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents. Bioorg Med Chem Lett, 11, 2241-2244. PubMed id: 11527706
Date:
12-Feb-01     Release date:   12-Feb-02    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P0AEK4  (FABI_ECOLI) -  Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Seq:
Struc:
262 a.a.
248 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.1.3.1.9  - Enoyl-[acyl-carrier-protein] reductase (NADH).
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: An acyl-[acyl-carrier protein] + NAD+ = a trans-2,3-dehydroacyl-[acyl- carrier protein] + NADH
acyl-[acyl-carrier protein]
+
NAD(+)
Bound ligand (Het Group name = NAD)
corresponds exactly
= trans-2,3-dehydroacyl-[acyl- carrier protein]
+ NADH
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     membrane   1 term 
  Biological process     oxidation-reduction process   9 terms 
  Biochemical function     oxidoreductase activity     3 terms  

 

 
    reference    
 
 
Bioorg Med Chem Lett 11:2241-2244 (2001)
PubMed id: 11527706  
 
 
Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents.
M.A.Seefeld, W.H.Miller, K.A.Newlander, W.J.Burgess, D.J.Payne, S.F.Rittenhouse, T.D.Moore, W.E.DeWolf, P.M.Keller, X.Qiu, C.A.Janson, K.Vaidya, A.P.Fosberry, M.G.Smyth, D.D.Jaworski, C.Slater-Radosti, W.F.Huffman.
 
  ABSTRACT  
 
An SAR study of a screening lead has led to the identification of 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as inhibitors of Staphylococcus aureus enoyl acyl carrier protein reductase (FabI).
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
19477652 D.Aiello, M.H.Barnes, E.E.Biswas, S.B.Biswas, S.Gu, J.D.Williams, T.L.Bowlin, and D.T.Moir (2009).
Discovery, characterization and comparison of inhibitors of Bacillus anthracis and Staphylococcus aureus replicative DNA helicases.
  Bioorg Med Chem, 17, 4466-4476.  
18937596 G.R.Wignall, L.W.Goneau, B.H.Chew, J.D.Denstedt, and P.A.Cadieux (2008).
The effects of triclosan on uropathogen susceptibility to clinically relevant antibiotics.
  J Endourol, 22, 2349-2356.  
18305197 J.Saito, M.Yamada, T.Watanabe, M.Iida, H.Kitagawa, S.Takahata, T.Ozawa, Y.Takeuchi, and F.Ohsawa (2008).
Crystal structure of enoyl-acyl carrier protein reductase (FabK) from Streptococcus pneumoniae reveals the binding mode of an inhibitor.
  Protein Sci, 17, 691-699.
PDB codes: 2z6i 2z6j
18663709 S.K.Tipparaju, D.C.Mulhearn, G.M.Klein, Y.Chen, S.Tapadar, M.H.Bishop, S.Yang, J.Chen, M.Ghassemi, B.D.Santarsiero, J.L.Cook, M.Johlfs, A.D.Mesecar, M.E.Johnson, and A.P.Kozikowski (2008).
Design and synthesis of aryl ether inhibitors of the Bacillus anthracis enoyl-ACP reductase.
  ChemMedChem, 3, 1250-1268.
PDB code: 2qio
17021938 A.Collet, S.Vilain, P.Cosette, G.A.Junter, T.Jouenne, R.S.Phillips, and P.Di Martino (2007).
Protein expression in Escherichia coli S17-1 biofilms: impact of indole.
  Antonie Van Leeuwenhoek, 91, 71-85.  
16870790 S.Takahata, M.Iida, Y.Osaki, J.Saito, H.Kitagawa, T.Ozawa, T.Yoshida, and S.Hoshiko (2006).
AG205, a novel agent directed against FabK of Streptococcus pneumoniae.
  Antimicrob Agents Chemother, 50, 2869-2871.  
15352319 G.Zhu (2004).
Current progress in the fatty acid metabolism in Cryptosporidium parvum.
  J Eukaryot Microbiol, 51, 381-388.  
15105103 L.L.Ling, J.Xian, S.Ali, B.Geng, J.Fan, D.M.Mills, A.C.Arvanites, H.Orgueira, M.A.Ashwell, G.Carmel, Y.Xiang, and D.T.Moir (2004).
Identification and characterization of inhibitors of bacterial enoyl-acyl carrier protein reductase.
  Antimicrob Agents Chemother, 48, 1541-1547.  
14987762 Y.Ji, D.Yin, B.Fox, D.J.Holmes, D.Payne, and M.Rosenberg (2004).
Validation of antibacterial mechanism of action using regulated antisense RNA expression in Staphylococcus aureus.
  FEMS Microbiol Lett, 231, 177-184.  
15726819 Y.M.Zhang, Y.J.Lu, and C.O.Rock (2004).
The reductase steps of the type II fatty acid synthase as antimicrobial targets.
  Lipids, 39, 1055-1060.  
12606558 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.Kreiswirth, H.Iwamoto, R.Perozzo, W.R.Jacobs, J.C.Sacchettini, and D.A.Fidock (2003).
Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data.
  J Biol Chem, 278, 20851-20859.
PDB codes: 1p44 1p45
12000610 D.McDevitt, D.J.Payne, D.J.Holmes, and M.Rosenberg (2002).
Novel targets for the future development of antibacterial agents.
  J Appl Microbiol, 92, 28S-34S.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB codes are shown on the right.