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

 

 

 

 

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Contents
Protein chains
233 a.a. *
54 a.a. *
Ligands
LZF ×2
Metals
_NA ×2
_CA
Waters ×574
* Residue conservation analysis
PDB id:
2vvc
Name: Hydrolase
Title: Aminopyrrolidine factor xa inhibitor
Structure: Activated factor xa heavy chain. Chain: a, b. Fragment: peptidase s1 domain, residues 235-475. Engineered: yes. Mutation: yes. Factor x light chain. Chain: k, l. Fragment: egf2, residues 126-180. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562. Expression_system_taxid: 562
Resolution:
1.95Å     R-factor:   0.203     R-free:   0.275
Authors: K.Groebke-Zbinden,D.W.Banner,J.M.Benz,F.Blasco,G.Decoret,J.Himber, B.Kuhn,N.Panday,F.Ricklin,P.Risch,D.Schlatter,M.Stahl,R.Unger,W.Haap
Key ref: K.G.Zbinden et al. (2009). Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit. Eur J Med Chem, 44, 2787-2795. PubMed id: 19200624
Date:
05-Jun-08     Release date:   07-Jul-09    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P00742  (FA10_HUMAN) -  Coagulation factor X from Homo sapiens
Seq:
Struc: 		488 a.a.
233 a.a.*
Protein chains
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
* PDB and UniProt seqs differ at 1 residue position (black cross)

 Enzyme reactions 
   Enzyme class: Chains A, B, K, 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.

 

 
Eur J Med Chem 44:2787-2795 (2009)
PubMed id: 19200624  
 
 
Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit.
K.G.Zbinden, L.Anselm, D.W.Banner, J.Benz, F.Blasco, G.Décoret, J.Himber, B.Kuhn, N.Panday, F.Ricklin, P.Risch, D.Schlatter, M.Stahl, S.Thomi, R.Unger, W.Haap.
 
  ABSTRACT  
 
Starting from a hit identified by focused screening, 3-aminopyrrolidine factor Xa inhibitors were designed. The binding mode as determined by X-ray structural analysis as well as the pharmacokinetic behaviour of selected compounds is discussed.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21754908 C.J.Huang, J.Wu, Z.Q.Cai, and J.Yuan (2011).
4-(3-Fluoro-4-nitro-phen-yl)morpholin-3-one.
  Acta Crystallogr Sect E Struct Rep Online, 67, o1549.  
20345171 C.Bissantz, B.Kuhn, and M.Stahl (2010).
A medicinal chemist's guide to molecular interactions.
  J Med Chem, 53, 5061-5084.  
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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