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STRUCTURAL MECHANISM FOR THE INHIBITION OF CDK5-P25 BY ROSCOVITINE, ALOISINE AND INDIRUBIN.
1UNH
Primary Citation
 
 
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  •   Molecular Description Hide
    Classification: Cell Cycle
    Structure Weight: 113655.77
    Molecule: CYCLIN-DEPENDENT KINASE 5
    Polymer: 1 Type: protein Length: 292
    Chains: A, B
    EC#: 2.7.11.22   
    Mutation: YES
    Organism Homo sapiens
    Gene Names CDK5 CDKN5
    UniProtKB:   Protein Feature View | Search PDB | Q00535  
    Molecule: CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1
    Polymer: 2 Type: protein Length: 208
    Chains: D, E
    Fragment: RESIDUES 100-307
    Organism Homo sapiens
    Gene Names CDK5R1 CDK5R NCK5A
    UniProtKB:   Protein Feature View | Search PDB | Q15078  
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Homo sapiens   Taxonomy   Common Name: Human Expression System: Spodoptera frugiperda  
    Polymer: 2
    Scientific Name: Homo sapiens   Taxonomy   Common Name: Human Expression System: Spodoptera frugiperda  
     
  •   Related PDB Entries Hide
    Identifier Details
    1H4L  STRUCTURE AND REGULATION OF THE CDK5-P25( NCK5A) COMPLEX 
    1LFR  THEORETICAL STRUCTURE OF HUMAN-CYCLIN DEPENDENT KINASE 5(CDK5) 
    1UNG  STRUCTURAL MECHANISM FOR THE INHIBITION OF CDK5-P25 BY ROSCOVITINE, ALOISINE AND INDIRUBIN. 
    1UNL  STRUCTURAL MECHANISM FOR THE INHIBITION OF CDK5-P25 BY ROSCOVITINE, ALOISINE AND INDIRUBIN. 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name Interactions
    IXM
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    Download      		IXM C16 H11 N3 O2
    (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE- 3-OXIME
    		IXM:1UNH
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    IXM
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    Download      		IXM
    IC50: 100 nM (100) - data from BindingDB  
    IC50: 100 nM - data from BindingMOAD  
    IC50: 100 nM - data from PDBbind  
     
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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 PISA (software)
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  •   Deposition Summary Hide
    Authors:   Mapelli, M.,  Crovace, C.,  Massimiliano, L.,  Musacchio, A.

    Deposition:   2003-09-10
    Release:   2004-11-10
    Last Modified (REVDAT):   2011-07-13
     
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    2011-07-13
    Version format compliance
    2011-07-13
    Flag residual B-value
     
  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
      Structure Factors
    EDS  
    Resolution[Å]:   2.35
    R-Value: 0.229 (obs.)
    R-Free: 0.230
    Space Group: C 2
    Unit Cell:
      Length [Å] Angles [°]
    a = 149.54 α = 90.00 
    b = 90.12 β = 93.29 
    c = 83.16 γ = 90.00