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Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin
3HHM
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Transferase/oncoprotein
    Structure Weight: 171986.44
    Molecule: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
    Polymer: 1 Type: protein Length: 1091
    Chains: A
    EC#: 2.7.1.153    2.7.11.1   
    Mutation: H1047R
    Organism: Homo sapiens
    Gene Name: Gene View for PIK3CA
    UniProtKB: Protein Feature View | Search PDB | P42336  
    Molecule: niSH2 p85alpha
    Polymer: 2 Type: protein Length: 373
    Chains: B
    Fragment: UNP residues 322-694
    Mutation: D330N
    Organism: Homo sapiens
    Gene Names: Gene View for PIK3R1 GRB1
    UniProtKB: Protein Feature View | Search PDB | P27986  
     
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  •   Source Hide
    Polymer: 1
    Scientific Name: Homo sapiens   Taxonomy   Common Name: Human Expression System: Spodoptera frugiperda  
    Polymer: 2
    Scientific Name: Homo sapiens   Taxonomy   Expression System: Spodoptera frugiperda  
     
  •   Related PDB Entries Hide
    Identifier Details
    3HIZ  Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha, unligated 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    KWT
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    KWT C23 H24 O8
    (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]- 3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO- 3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN- 11-YL ACETATE
    KWT:3HHM
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    KWT
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    KWT
    IC50: 1 - 99 nM (99) - data from BindingDB  
    Ki: 120 nM (99) - data from BindingDB  
    N/Ain BindingMoad
    N/Ain PDBbind
     
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Data in orange boxes are gathered from external resources (when available).
 
  Biological Assembly       
Biological assembly 1 assigned by authors and generated by PISA (software)
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  •   Deposition Summary Hide
    Authors:   Amzel, L.M.,  Vogelstein, B.,  Gabelli, S.B.,  Mandelker, D.

    Deposition:   2009-05-15
    Release:   2009-09-29
    Last Modified (REVDAT):   2009-10-20
     
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    2011-07-13
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  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
      Structure Factors
    EDS  
    Resolution[Å]:   2.80
    R-Value: 0.239 (obs.)
    R-Free: 0.307
    Space Group: P 21 21 21
    Unit Cell:
      Length [Å] Angles [°]
    a = 115.31 α = 90.00 
    b = 121.45 β = 90.00 
    c = 152.49 γ = 90.00