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High resolution crystal structure of calpain I protease core in complex with E64
1TLO
Primary Citation
 
 
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  •   Molecular Description Hide
    Classification: Hydrolase
    Structure Weight: 39245.49
    Molecule: Calpain 1, large [catalytic] subunit
    Polymer: 1 Type: protein Length: 339
    Chains: A
    EC#: 3.4.22.52   
    Fragment: residues 27-356
    Organism Rattus norvegicus
    Gene Names Capn1 Cls1
    UniProtKB:   Protein Feature View | Search PDB | P97571  
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Rattus norvegicus   Taxonomy   Common Name: Norway rat Expression System: Escherichia coli bl21(de3)  
     
  •   Related PDB Entries Hide
    Identifier Details
    1DFO  crystal structure of the rat calpain II heterodimer 
    1KFU  crystal structure of the human calpain II heterodimer form II 
    1KFX  crystal structure of the human calpain II heterodimer form I 
    1KXR  Crystal structure of the calpain I protease core in the presence of calcium 
    1MDW  Crystal structure of the calpain II protease core in the presence of calcium 
    1NX0  calpain domain VI complexed with calpastatin inhibitory domain C 
    1TL9  High resolution crystal structure of calpain I protease core in complex with leupeptin 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name Interactions
    CA
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    Download      		CA Ca
    CALCIUM ION
    E64
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    Download      		E64 C15 H30 N5 O5
    N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO- BUTYL]-GUANIDINE
    		E64:1TLO
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    E64
    Search 
    Download      		E64
    N/Ain BindingDB
    N/Ain BindingMoad
    IC50: 100000 nM - data from PDBbind  
     
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Data in orange boxes are gathered from external resources (when available).
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  •   Deposition Summary Hide
    Authors:   Moldoveanu, T.,  Campbell, R.L.,  Cuerrier, D.,  Davies, P.L.

    Deposition:   2004-06-09
    Release:   2004-11-02
    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:
      Structure Factors
    EDS  
    Resolution[Å]:   1.90
    R-Value: 0.272 (obs.)
    R-Free: 0.272
    Space Group: P 21 21 21
    Unit Cell:
      Length [Å] Angles [°]
    a = 40.52 α = 90.00 
    b = 69.76 β = 90.00 
    c = 108.96 γ = 90.00