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PDBsum entry 2ei6
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protein ligands metals Protein-protein interface(s) links
Hydrolase PDB id
2ei6

 

 

 

 

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Contents
Protein chains
233 a.a. *
54 a.a. *
Ligands
D92
Metals
_CA ×2
Waters ×65
* Residue conservation analysis
PDB id:
2ei6
Name: Hydrolase
Title: Factor xa in complex with the inhibitor (-)-cis-n1-[(5-chloroindol-2- yl)carbonyl]-n2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin- 2-yl)carbonyl]-1,2-cyclohexanediamine
Structure: Coagulation factor x, heavy chain. Chain: a. Fragment: residues 16-243. Synonym: stuart factor, stuart-prower factor. Coagulation factor x, light chain. Chain: b. Fragment: residues 85-138. Synonym: stuart factor, stuart-prower factor. Ec: 3.4.21.6
Source: Homo sapiens. Human. Organism_taxid: 9606. Other_details: proteolytic cleavage product
Resolution:
2.30Å     R-factor:   0.200     R-free:   0.262
Authors: M.Suzuki
Key ref: T.Nagata et al. (2007). Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors. Bioorg Med Chem Lett, 17, 4683-4688. PubMed id: 17555959
Date:
12-Mar-07     Release date:   18-Mar-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.
233 a.a.
Protein chain
Pfam   ArchSchema ?
P00742  (FA10_HUMAN) -  Coagulation factor X from Homo sapiens
Seq:
Struc: 		488 a.a.
54 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: Chains A, B: 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 17:4683-4688 (2007)
PubMed id: 17555959  
 
 
Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors.
T.Nagata, T.Yoshino, N.Haginoya, K.Yoshikawa, Y.Isobe, T.Furugohri, H.Kanno.
 
  ABSTRACT  
 
This paper describes the synthesis of orally available potent fXa inhibitors 2 and 3 by modification of the piperazine part of lead compound 1. Carbonyl derivative 3 showed potent fXa activity but not sulfonyl derivative 2. Among the compounds synthesized, cyclohexane derivatives 3g and 3h and cycloheptane derivative 3j had potent anticoagulant activity as well as anti-fXa activity. Synthetic study of the optical isomers of 3g demonstrated that (-)-3g had more potent activity.
 

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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