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PDBsum entry 1z6j
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protein ligands metals Protein-protein interface(s) links
Hydrolase PDB id
1z6j

 

 

 

 

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JSmol PyMol  
Contents
Protein chains
142 a.a. *
254 a.a. *
207 a.a. *
Ligands
PY3
Metals
_MG
_CA ×2
Waters ×389
* Residue conservation analysis
PDB id:
1z6j
Name: Hydrolase
Title: Crystal structure of a ternary complex of factor viia/tissue factor/pyrazinone inhibitor
Structure: Coagulation factor vii. Chain: l. Fragment: light chain. Synonym: serum prothrombin conversion accelerator, spca, proconvertin, eptacog alfa. Engineered: yes. Coagulation factor vii. Chain: h. Fragment: heavy chain.
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: f7. Expressed in: cricetinae. Expression_system_taxid: 10026. Expression_system_organ: kidney. Gene: f3. Expressed in: escherichia coli.
Biol. unit: Trimer (from PQS)
Resolution:
2.00Å     R-factor:   0.209     R-free:   0.258
Authors: B.A.Schweitzer,W.L.Neumann,H.K.Rahman,C.L.Kusturin,K.R.Sample, G.I.Poda,R.G.Kurumbail,A.M.Stevens,R.A.Stegeman,W.C.Stallings
Key ref: B.A.Schweitzer et al. (2005). Structure-based design and synthesis of pyrazinones containing novel P1 'side pocket' moieties as inhibitors of TF/VIIa. Bioorg Med Chem Lett, 15, 3006-3011. PubMed id: 15913999 DOI: 10.1016/j.bmcl.2005.04.037
Date:
22-Mar-05     Release date:   03-May-05    
PROCHECK
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 Headers
 References

Protein chain
Pfam   ArchSchema ?
P08709  (FA7_HUMAN) -  Coagulation factor VII from Homo sapiens
Seq:
Struc: 		466 a.a.
142 a.a.*
Protein chain
Pfam   ArchSchema ?
P08709  (FA7_HUMAN) -  Coagulation factor VII from Homo sapiens
Seq:
Struc: 		466 a.a.
254 a.a.
Protein chain
Pfam   ArchSchema ?
P13726  (TF_HUMAN) -  Tissue factor from Homo sapiens
Seq:
Struc: 		295 a.a.
207 a.a.
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 10 residue positions (black crosses)

 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.

 

 
DOI no: 10.1016/j.bmcl.2005.04.037 Bioorg Med Chem Lett 15:3006-3011 (2005)
PubMed id: 15913999  
 
 
Structure-based design and synthesis of pyrazinones containing novel P1 'side pocket' moieties as inhibitors of TF/VIIa.
B.A.Schweitzer, W.L.Neumann, H.K.Rahman, C.L.Kusturin, K.R.Sample, G.I.Poda, R.G.Kurumbail, A.M.Stevens, R.A.Stegeman, W.C.Stallings, M.S.South.
 
  ABSTRACT  
 
We describe the structure-based design, synthesis, and enzymatic activity of a series of substituted pyrazinones as inhibitors of the TF/VIIa complex. These inhibitors contain substituents meta to the P(1) amidine designed to explore additional interactions with the VIIa residues in the so-called 'S(1) side pocket'. A crystal structure of the designed inhibitors demonstrates the ability of the P(1) side pocket moiety to engage Lys192 and main chain of Gly216 via hydrogen bond interactions, thus, providing additional possibility for chemical modification to improve selectivity and/or physical properties of inhibitors.
 

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
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.

 

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