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PDBsum entry 1xoe

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protein ligands links
Hydrolase PDB id
1xoe
Jmol
Contents
Protein chain
387 a.a. *
Ligands
NAG-NAG-BMA-MAN-
MAN-MAN
MAN
NAG ×2
ABX
Waters ×338
* Residue conservation analysis
PDB id:
1xoe
Name: Hydrolase
Title: N9 tern influenza neuraminidase complexed with (2r,4r,5r)-5- acetylamino-3-methyl-butyl-pyrrolidine-2, 4-dicarobyxylic a methyl esterdase complexed with
Structure: Neuraminidase. Chain: a. Fragment: n9 tern influenza neuraminidase. Ec: 3.2.1.18
Source: Influenza a virus. Organism_taxid: 11320. Strain: strain a/tern/australia/g70c/75
Biol. unit: Tetramer (from PQS)
Resolution:
2.20Å     R-factor:   0.265     R-free:   0.315
Authors: G.T.Wang,S.Wang,R.Gentles,T.Sowin,C.J.Maring,D.J.Kempf,W.M.K V.Stoll,K.D.Stewart,G.Laver
Key ref: G.T.Wang et al. (2005). Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core. Bioorg Med Chem Lett, 15, 125-128. PubMed id: 15582424 DOI: 10.1016/j.bmcl.2004.10.022
Date:
06-Oct-04     Release date:   11-Jan-05    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P03472  (NRAM_I75A5) -  Neuraminidase
Seq:
Struc:
470 a.a.
387 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.3.2.1.18  - Exo-alpha-sialidase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Hydrolysis of alpha-(2->3)-, alpha-(2->6)-, alpha-(2->8)-glycosidic linkages of terminal sialic residues in oligosaccharides, glycoproteins, glycolipids, colominic acid and synthetic substrates.
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     membrane   3 terms 
  Biological process     carbohydrate metabolic process   1 term 
  Biochemical function     exo-alpha-sialidase activity     1 term  

 

 
DOI no: 10.1016/j.bmcl.2004.10.022 Bioorg Med Chem Lett 15:125-128 (2005)
PubMed id: 15582424  
 
 
Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.
G.T.Wang, S.Wang, R.Gentles, T.Sowin, C.J.Maring, D.J.Kempf, W.M.Kati, V.Stoll, K.D.Stewart, G.Laver.
 
  ABSTRACT  
 
(+/-)-(2R,3R,5R)-[2-(1'-S-acetamido-3'-methyl)butyl-3-methoxycarbonyl]tetrahydrofuran-5-carboxylic acid (9) and (+/-)-(2R,3R,5R)-[2-(1'-S-acetamido-3'-methyl)butyl-3-(4'-imidazolyl)]tetrahydrofuran 5-carboxylic acid (14) were synthesized as inhibitors of influenza neuraminidase (NA). Both compounds 9 and 14 inhibit influenza NA A with an IC(50) of about 0.5 microM and NA B with an IC(50) of 1.0 microM.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
19390154 P.M.Dominiak, A.Volkov, A.P.Dominiak, K.N.Jarzembska, and P.Coppens (2009).
Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme-substrate complex: influenza neuraminidase inhibition.
  Acta Crystallogr D Biol Crystallogr, 65, 485-499.  
17160999 I.M.Lagoja, and E.De Clercq (2008).
Anti-influenza virus agents: synthesis and mode of action.
  Med Res Rev, 28, 1.  
17139286 E.De Clercq (2006).
Antiviral agents active against influenza A viruses.
  Nat Rev Drug Discov, 5, 1015-1025.  
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.