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PDBsum entry 3cen
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protein ligands Protein-protein interface(s) links
Hydrolase PDB id
3cen

 

 

 

 

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Contents
Protein chains
234 a.a. *
52 a.a. *
Ligands
FXA
Waters ×279
* Residue conservation analysis
PDB id:
3cen
Name: Hydrolase
Title: Factor xa in complex with the inhibitor n-(2-(((5-chloro-2-pyridinyl) amino)sulfonyl)phenyl)-4-(2-oxo-1(2h)-pyridinyl)benzamide
Structure: Coagulation factor x, heavy chain. Chain: a. Fragment: activated factor xa heavy chain, unp residues 235-468. Synonym: stuart factor, stuart-prower factor. Coagulation factor x, light chain. Chain: l. Fragment: unp residues 127-178. Synonym: stuart factor, stuart-prower factor. Ec: 3.4.21.6
Source: Homo sapiens. Human. Other_details: proteolytic cleavage product. Other_details: proteolytic cleavage product
Resolution:
1.60Å     R-factor:   0.251     R-free:   0.294
Authors: C.-H.Chang
Key ref: J.R.Corte et al. (2008). Structure-activity relationships of anthranilamide-based factor Xa inhibitors containing piperidinone and pyridinone P4 moieties. Bioorg Med Chem Lett, 18, 2845-2849. PubMed id: 18424044
Date:
29-Feb-08     Release date:   20-May-08    
PROCHECK
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 Headers
 References

Protein chain
Pfam   ArchSchema ?
P00742  (FA10_HUMAN) -  Coagulation factor X from Homo sapiens
Seq:
Struc: 		488 a.a.
234 a.a.
Protein chain
Pfam   ArchSchema ?
P00742  (FA10_HUMAN) -  Coagulation factor X from Homo sapiens
Seq:
Struc: 		488 a.a.
52 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: Chains A, L: E.C.3.4.21.6  - coagulation factor Xa.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Preferential cleavage: Arg-|-Thr and then Arg-|-Ile bonds in prothrombin to form thrombin.

 

 
Bioorg Med Chem Lett 18:2845-2849 (2008)
PubMed id: 18424044  
 
 
Structure-activity relationships of anthranilamide-based factor Xa inhibitors containing piperidinone and pyridinone P4 moieties.
J.R.Corte, T.Fang, D.J.Pinto, W.Han, Z.Hu, X.J.Jiang, Y.L.Li, J.F.Gauuan, M.Hadden, D.Orton, A.R.Rendina, J.M.Luettgen, P.C.Wong, K.He, P.E.Morin, C.H.Chang, D.L.Cheney, R.M.Knabb, R.R.Wexler, P.Y.Lam.
 
  ABSTRACT  
 
Introduction of the phenyl piperidinone and phenyl pyridinone P4 moieties in the anthranilamide scaffold led to potent, selective, and orally bioavailable inhibitors of factor Xa. Anthranilamide 28 displayed comparable efficacy to apixaban in the rabbit arteriovenous-shunt (AV) thrombosis model.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
19967784 Y.K.Lee, and M.R.Player (2011).
Developments in factor Xa inhibitors for the treatment of thromboembolic disorders.
  Med Res Rev, 31, 202-283.  
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.

 

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