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PDBsum entry 3nj8

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protein ligands Protein-protein interface(s) links
Oxidoreductase PDB id
3nj8
Jmol
Contents
Protein chains
301 a.a. *
Ligands
NAD ×2
NJ8 ×2
Waters ×47
* Residue conservation analysis
PDB id:
3nj8
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.
Resolution:
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
Date:
17-Jun-10     Release date:   29-Sep-10    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
Q6UCJ9  (Q6UCJ9_TOXGO) -  Enoyl-acyl carrier reductase
Seq:
Struc:
417 a.a.
301 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!
  Biological process     oxidation-reduction process   2 terms 
  Biochemical function     enoyl-[acyl-carrier-protein] reductase (NADH) activity     1 term  

 

 
    reference    
 
 
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.
 
  ABSTRACT  
 
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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