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THR 160 PHOSPHORYLATED CDK2 - HUMAN CYCLIN A3 COMPLEX WITH THE INHIBITOR INDIRUBIN-5-SULPHONATE BOUND
1E9H
Primary Citation
 
 
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  •   Molecular Description Hide
    Classification: Cell Cycle
    Structure Weight: 128361.45
    Molecule: CELL DIVISION PROTEIN KINASE 2
    Polymer: 1 Type: protein Length: 297
    Chains: A, C
    EC#: 2.7.11.22   
    Details: PHOSPHORYLATED ON THR 160 CHAINS A AND C ARE ASYMETRIC UNIT COPIES
    Organism Homo sapiens
    Gene Names CDK2 CDKN2
    UniProtKB:   Protein Feature View | Search PDB | P24941  
    Molecule: CYCLIN A3
    Polymer: 2 Type: protein Length: 261
    Chains: B, D
    Details: TRUNCATED FRAGMENT OF CYCLIN A. IN COMPLEX WITH CDK2 CHAINS B AND D ARE ASYMETRIC UNIT COPIES
    Organism Homo sapiens
    Gene Names CCNA2 CCN1 CCNA
    UniProtKB:   Protein Feature View | Search PDB | P20248  
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Homo sapiens   Taxonomy   Common Name: Human Expression System: Escherichia coli  
    Polymer: 2
    Scientific Name: Homo sapiens   Taxonomy   Common Name: Human Expression System: Escherichia coli  
     
  •   Related PDB Entries Hide
    Identifier Details
    1AQ1  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE 
    1B38  HUMAN CYCLIN-DEPENDENT KINASE 2 
    1B39  HUMAN CYCLIN-DEPENDENT KINASE 2 PHOSPHORYLATED ON THR 160 
    1CKP  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B 
    1DM2  HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE 
    1E1V  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU2058 
    1E1X  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027 
    1FIN  CYCLIN A - CYCLIN-DEPENDENT KINASE 2 COMPLEX 
    1HCK  HUMAN CYCLIN-DEPENDENT KINASE 2 
    1HCL  HUMAN CYCLIN-DEPENDENT KINASE 2 
    1JST  PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A 
    1JSU  P27(KIP1)/CYCLIN A/CDK2 COMPLEX 
    1QMZ  PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name Interactions
    INR
    Search 
    Download      		INR C16 H10 N2 O5 S
    2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE- 5'-SULFONIC ACID
    		INR:1E9H
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    INR
    Search 
    Download      		INR
    IC50: 22 - 500 nM (100) - data from BindingDB  
    IC50: 35 nM - data from BindingMOAD  
    IC50: 35 nM - data from PDBbind  
     
  •   Modified Residues Hide
    Identifier Formula Parent Type
    TPO
    Search      		TPO C4 H10 N O6 P THR lPeptideLinking
     
  •   External Domain Annotations Hide
     
  •   Structural Biology Knowledgebase Data Hide
     
 
Data in orange boxes are gathered from external resources (when available).
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  Biological Assembly 1       
Biological assembly 1 assigned by authors and generated by PQS (software)
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  •   Deposition Summary Hide
    Authors:   Davies, T.G.,  Tunnah, P.,  Noble, M.E.M.,  Endicott, J.A.

    Deposition:   2000-10-16
    Release:   2001-10-11
    Last Modified (REVDAT):   2009-02-24
     
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    2011-07-13
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  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
    N/A
    Resolution[Å]:   2.50
    R-Value: 0.225 (obs.)
    R-Free: 0.273
    Space Group: P 21 21 21
    Unit Cell:
      Length [Å] Angles [°]
    a = 73.80 α = 90.00 
    b = 133.80 β = 90.00 
    c = 150.44 γ = 90.00