PDBsum entry 2f9b

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protein ligands Protein-protein interface(s) links
Hydrolase/blood clotting PDB id
Protein chains
94 a.a. *
254 a.a. *
149 a.a. *
Waters ×155
* Residue conservation analysis
PDB id:
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)
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
05-Dec-05     Release date:   28-Feb-06    
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Protein chain
Pfam   ArchSchema ?
P08709  (FA7_HUMAN) -  Coagulation factor VII
466 a.a.
94 a.a.
Protein chain
Pfam   ArchSchema ?
P08709  (FA7_HUMAN) -  Coagulation factor VII
466 a.a.
254 a.a.
Protein chain
Pfam   ArchSchema ?
P13726  (TF_HUMAN) -  Tissue factor
295 a.a.
149 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: Chains L, H: E.C.  - 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.
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.  
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