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PDBsum entry 2f9b

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protein ligands Protein-protein interface(s) links
Hydrolase/blood clotting PDB id
2f9b
Jmol
Contents
Protein chains
94 a.a. *
254 a.a. *
149 a.a. *
Ligands
N1H
Waters ×155
* Residue conservation analysis
PDB id:
2f9b
Name: Hydrolase/blood clotting
Title: Discovery of novel heterocyclic factor viia inhibitors
Structure: Coagulation factor vii. Chain: l. Fragment: light chain, residues 61-212. Engineered: yes. Coagulation factor vii. Chain: h. Fragment: heavy chain, residues 213-466. Engineered: yes. Tissue factor.
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: f7. Expressed in: homo sapiens. Expression_system_taxid: 9606. Expression_system_cell_line: embryonic kidney cell line 293. Gene: f3.
Biol. unit: Trimer (from PQS)
Resolution:
2.54Å     R-factor:   0.226     R-free:   0.286
Authors: R.Rai,A.Kolesnikov,P.A.Sprengeler,S.Torkelson,T.Ton, B.A.Katz,C.Yu,J.Hendrix,W.D.Shrader,R.Stephens,R.Cabuslay, E.Sanford,W.B.Young
Key ref: R.Rai et al. (2006). Discovery of novel heterocyclic factor VIIa inhibitors. Bioorg Med Chem Lett, 16, 2270-2273. PubMed id: 16460932 DOI: 10.1016/j.bmcl.2006.01.017
Date:
05-Dec-05     Release date:   28-Feb-06    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P08709  (FA7_HUMAN) -  Coagulation factor VII
Seq:
Struc:
466 a.a.
94 a.a.
Protein chain
Pfam   ArchSchema ?
P08709  (FA7_HUMAN) -  Coagulation factor VII
Seq:
Struc:
466 a.a.
254 a.a.
Protein chain
Pfam   ArchSchema ?
P13726  (TF_HUMAN) -  Tissue factor
Seq:
Struc:
295 a.a.
149 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: Chains L, H: E.C.3.4.21.21  - Coagulation factor VIIa.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Hydrolyzes one Arg-|-Ile bond in factor X to form factor Xa.
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     extracellular region   2 terms 
  Biological process     blood coagulation   2 terms 
  Biochemical function     catalytic activity     3 terms  

 

 
DOI no: 10.1016/j.bmcl.2006.01.017 Bioorg Med Chem Lett 16:2270-2273 (2006)
PubMed id: 16460932  
 
 
Discovery of novel heterocyclic factor VIIa inhibitors.
R.Rai, A.Kolesnikov, P.A.Sprengeler, S.Torkelson, T.Ton, B.A.Katz, C.Yu, J.Hendrix, W.D.Shrader, R.Stephens, R.Cabuslay, E.Sanford, W.B.Young.
 
  ABSTRACT  
 
Structure-activity relationships and binding mode of novel heterocyclic factor VIIa inhibitors will be described. In these inhibitors, a highly basic 5-amidinoindole moiety has been successfully replaced with a less basic 5-aminopyrrolo[3,2-b]pyridine scaffold.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
20045964 T.Shiraishi, S.Kadono, M.Haramura, H.Kodama, Y.Ono, H.Iikura, T.Esaki, T.Koga, K.Hattori, Y.Watanabe, A.Sakamoto, K.Yoshihashi, T.Kitazawa, K.Esaki, M.Ohta, H.Sato, and T.Kozono (2010).
Design and synthesis of peptidomimetic factor VIIa inhibitors.
  Chem Pharm Bull (Tokyo), 58, 38-44.
PDB code: 2zzu
19490111 E.Persson, and O.H.Olsen (2009).
Activation loop 3 and the 170 loop interact in the active conformation of coagulation factor VIIa.
  FEBS J, 276, 3099-3109.  
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. Where a reference describes a PDB structure, the PDB code is shown on the right.