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CRYSTAL STRUCTURE OF P110BETA IN COMPLEX WITH ICSH2 OF P85BETA AND THE DRUG GDC-0941
2Y3A
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Transferase
    Structure Weight: 161103.53
    Molecule: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT BETA ISOFORM
    Polymer: 1 Type: protein Length: 1092
    Chains: A
    EC#: 2.7.1.153   
    Organism: Mus musculus
    Gene Name: Pik3cb
    UniProtKB: Protein Feature View | Search PDB | Q8BTI9  
    Molecule: PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT BETA
    Polymer: 2 Type: protein Length: 302
    Chains: B
    Fragment: ICSH2 DOMAIN, RESIDUES 423-722
    Organism: Mus musculus
    Gene Name: Pik3r2
    UniProtKB: Protein Feature View | Search PDB | O08908  
     
  •   Structure Validation Hide

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  • MolProbity Ramachandran Plot
     

  •   Related Citations in PDB Entry (REMARK 1) Hide
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Mus musculus   Taxonomy   Common Name: Mouse Expression System: Spodoptera frugiperda  
    Polymer: 2
    Scientific Name: Mus musculus   Taxonomy   Common Name: Mouse Expression System: Spodoptera frugiperda  
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    GD9
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    GD9 C23 H27 N7 O3 S2
    2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin- 1-yl]methyl}-4-morpholin-4-yl-thieno[3,2- d]pyrimidine
    GD9:2Y3A
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    GD9
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    GD9
    IC50: 17 - 33 nM (95) - data from BindingDB  
    Kd: 16 nM (95) - data from BindingDB  
    N/Ain BindingMoad
    N/Ain PDBbind
     
  •   External Domain Annotations Hide
     
  •   Structural Biology Knowledgebase Data Hide
     
 
Data in orange boxes are gathered from external resources (when available).
 
  Biological Assembly       
Biological assembly 1 generated by PISA (software)
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  •   Deposition Summary Hide
    Authors:   Zhang, X.,  Vadas, O.,  Perisic, O.,  Williams, R.L.

    Deposition:   2010-12-20
    Release:   2011-03-16
     
  •   Revision History    Hide
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    2011-07-13
    Version format compliance
     
  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
      Structure Factors
    EDS  
    Resolution[Å]:   3.30
    R-Value: 0.237 (obs.)
    R-Free: 0.296
    Space Group: P 65 2 2
    Unit Cell:
      Length [Å] Angles [°]
    a = 134.31 α = 90.00 
    b = 134.31 β = 90.00 
    c = 428.06 γ = 120.00