PDBsum entry 3nj8

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Oxidoreductase PDB id
Protein chains
301 a.a. *
NAD ×2
NJ8 ×2
Waters ×47
* Residue conservation analysis
PDB id:
Name: Oxidoreductase
Title: Crystal structure of t. Gondii enoyl acyl carrier protein re with bound triclosan like inhibitor
Structure: Enoyl-acyl carrier reductase. Chain: a, b. Fragment: unp residues 103-417. Engineered: yes
Source: Toxoplasma gondii. Organism_taxid: 5811. Strain: rh. Gene: enoyl reductase, enr. Expressed in: escherichia coli. Expression_system_taxid: 469008.
2.70Å     R-factor:   0.276     R-free:   0.322
Authors: S.P.Muench,S.N.Ruzheinikov,D.W.Rice
Key ref: S.K.Tipparaju et al. (2010). Identification and development of novel inhibitors of Toxoplasma gondii enoyl reductase. J Med Chem, 53, 6287-6300. PubMed id: 20698542 DOI: 10.1021/jm9017724
17-Jun-10     Release date:   29-Sep-10    
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Protein chains
Pfam   ArchSchema ?
Q6UCJ9  (Q6UCJ9_TOXGO) -  Enoyl-acyl carrier reductase
417 a.a.
301 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.  - 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]
Bound ligand (Het Group name = NAD)
corresponds exactly
= trans-2,3-dehydroacyl-[acyl- carrier protein]
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     oxidation-reduction process   2 terms 
  Biochemical function     enoyl-[acyl-carrier-protein] reductase (NADH) activity     1 term  


DOI no: 10.1021/jm9017724 J Med Chem 53:6287-6300 (2010)
PubMed id: 20698542  
Identification and development of novel inhibitors of Toxoplasma gondii enoyl reductase.
S.K.Tipparaju, S.P.Muench, E.J.Mui, S.N.Ruzheinikov, J.Z.Lu, S.L.Hutson, M.J.Kirisits, S.T.Prigge, C.W.Roberts, F.L.Henriquez, A.P.Kozikowski, D.W.Rice, R.L.McLeod.
No abstract given.


Literature references that cite this PDB file's key reference

  PubMed id Reference
21481407 D.Maffeo, Z.Velkov, K.Misiakos, K.Mergia, A.Paulidou, M.Zavali, I.M.Mavridis, and K.Yannakopoulou (2011).
Real-time monitoring of nanomolar binding to a cyclodextrin monolayer immobilized on a Si/SiO2/novolac surface using white light reflectance spectroscopy: the case of triclosan.
  J Colloid Interface Sci, 358, 369-375.  
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