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PDBsum entry 4ejn

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protein ligands links
Transferase/transferase inhibitor PDB id
4ejn
Jmol
Contents
Protein chain
376 a.a.
Ligands
0R4
SBT
EDO
Waters ×165
PDB id:
4ejn
Name: Transferase/transferase inhibitor
Title: Crystal structure of autoinhibited form of akt1 in complex w (5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3h-imidazo[4 b]pyridin-3-yl)benzyl)-3-fluorobenzamide
Structure: Rac-alpha serine/threonine-protein kinase. Chain: a. Synonym: protein kinase b, pkb, protein kinase b alpha, pkb proto-oncogenE C-akt, rac-pk-alpha. Engineered: yes. Mutation: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: akt1, pkb, rac. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
Resolution:
2.19Å     R-factor:   0.239     R-free:   0.276
Authors: S.Eathiraj
Key ref: M.A.Ashwell et al. (2012). Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors. J Med Chem, 55, 5291-5310. PubMed id: 22533986
Date:
06-Apr-12     Release date:   23-May-12    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P31749  (AKT1_HUMAN) -  RAC-alpha serine/threonine-protein kinase
Seq:
Struc:
480 a.a.
376 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.2.7.11.1  - Non-specific serine/threonine protein kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + a protein = ADP + a phosphoprotein
ATP
+ protein
= ADP
+ phosphoprotein
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     membrane   8 terms 
  Biological process     intracellular signal transduction   114 terms 
  Biochemical function     nucleotide binding     17 terms  

 

 
    reference    
 
 
J Med Chem 55:5291-5310 (2012)
PubMed id: 22533986  
 
 
Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
M.A.Ashwell, J.M.Lapierre, C.Brassard, K.Bresciano, C.Bull, S.Cornell-Kennon, S.Eathiraj, D.S.France, T.Hall, J.Hill, E.Kelleher, S.Khanapurkar, D.Kizer, S.Koerner, J.Link, Y.Liu, S.Makhija, M.Moussa, N.Namdev, K.Nguyen, R.Nicewonger, R.Palma, J.Szwaya, M.Tandon, U.Uppalapati, D.Vensel, L.P.Volak, E.Volckova, N.Westlund, H.Wu, R.Y.Yang, T.C.Chan.
 
  ABSTRACT  
 
No abstract given.