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HIV-1 PROTEASE TRIPLE MUTANT/TIPRANAVIR COMPLEX
1D4Y
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Hydrolase
    Structure Weight: 22212.47
    Molecule: PROTEIN (HIV-1 PROTEASE)
    Polymer: 1 Type: protein Length: 99
    Chains: A, B
    EC#: 3.4.23.16   
    Mutation: Q7K, L33I, L63I
    Organism: Human immunodeficiency virus 1
    Gene Name: gag-pol
    UniProtKB: Protein Feature View | Search PDB | P03367  
     
  •   Structure Validation Hide

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  • MolProbity Ramachandran Plot
     

  •   Related Citations in PDB Entry (REMARK 1) Hide
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Human immunodeficiency virus 1   Taxonomy   Expression System: Escherichia coli  
     
  •   Related PDB Entries Hide
    Identifier Details
    1D4S   
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    TPV
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    TPV C31 H33 F3 N2 O5 S
    N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL- 6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)- 5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
    TPV:1D4Y
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    TPV
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    TPV
    Ki: 0.008 - 0.032 nM (95) - data from BindingDB  
    Ki: 0.008 nM - data from BindingMOAD  
    N/Ain PDBbind
     
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  •   Structural Biology Knowledgebase Data Hide
     
 
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:   Watenpaugh, K.D.,  Janakiraman, M.N.

    Deposition:   1999-10-06
    Release:   1999-10-13
    Last Modified (REVDAT):   2012-02-22
     
  •   Revision History    Hide
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    2012-02-22
    Citation
    2011-07-13
    Version format compliance
     
  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
    N/A
    Resolution[Å]:   1.97
    R-Value: 0.174 (obs.)
    R-Free: 0.216
    Space Group: P 21 21 2
    Unit Cell:
      Length [Å] Angles [°]
    a = 59.78 α = 90.00 
    b = 87.50 β = 90.00 
    c = 46.46 γ = 90.00