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HIV-1 PR mutant in complex with nelfinavir
 
 
DOI:10.2210/pdb2qak/pdb
2QAK
 
Primary Citation
spinning wheel
 
 
  •  
    Move Section Molecular Description Hide
    Classification: Hydrolase
    Structure Weight: 22093.38
     
    Molecule:PROTEASE RETROPEPSIN
    Polymer:1Type:polypeptide(L)Length:99
    Chains:A, B
    EC#:3.4.23.16 Go to IUBMB EC entry  
    Mutation:D30N, L90M
     
     
  •  
    Move Section Source Hide
    Polymer: 1
    Scientific Name: Human immunodeficiency virus 1 Go to NCBI Taxonomy entry Common Name: Hiv-1 Expression System: Escherichia coli  
     
     
  •  
    Move Section Related PDB Entries Hide
    Id Details
    2PYM   
    2PYN   
    2Q63   
    2Q64   
     
     
  •  
    Move Section Ligand Chemical Component Hide
    Identifier Name Formula Interaction View Links
    1UN     2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)- 4-PHENYL SULFANYL-BUTYL]
    -DECAHYDRO-ISOQUINOLINE- 3-CARBOXYLIC ACID TERT-BUTYLAMIDE     		C32 H45 N3 O4 S 3DLigand Explorer Link out to Ligand Expos:1UN Link out to SuperLigands:1UN Link out to SuperHapten:1UN
     
     
  •  
    Move Section Derived Data Hide
     
     
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Biological assembly assigned by authors and generated by PISA (software)
 
 
 
  •  
    Move Section Deposition Summary Hide
    Authors:   Rezacova, P.,   Kozisek, M.,   Saskova, K.,   Brynda, J.,   Konvalinka, J.

    Deposition:   2007-06-16
    Release:   2008-07-01
    Last Modified (REVDAT):   2009-02-24
     
     
  •  
    Move Section Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Experimental Data:   Download Structure Factors  [ EDS External Link to EDS ]
    View a histogram of Resolution Resolution[Å]: 2.20
    R-Value: 0.205 (obs.)
    R-Free: 0.236
    Space Group: P 61
    Unit Cell:
      Length [Å] Angles [°]
    a = 62.50 α = 90.00 
    b = 62.50 β = 90.00 
    c = 82.06 γ = 120.00