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X-ray crystal structure of HIV-1 protease IRM mutant complexed with atazanavir (BMS-232632)
 
 
DOI:10.2210/pdb2fxd/pdb
2FXD
 
Primary Citation
spinning wheel
 
 
  •  
    Move Section Molecular Description Hide
    Classification: Hydrolase
    Structure Weight: 22379.57
     
    Molecule:pol protein
    Polymer:1Type:polypeptide(L)Length:99
    Chains:A, B
    EC#:3.4.23.16 Go to IUBMB EC entry  
    Fragment:HIV-1 PROTEASE
    Mutation:Q7K,L10I,I13V,L33I,S37N,R41K,M46I,L63I,C67A,V82F,I84V,L90M,C95A
     
     
  •  
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    Polymer: 1
    Scientific Name: Human immunodeficiency virus 1 Go to NCBI Taxonomy entry Expression System: Escherichia coli bl21(de3)  
     
     
  •  
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    Id Details
    2FXE  X-ray crystal structure of a cleavage-resistant mutant (CRM) of HIV-1 protease with atazanavir (BMS-232632) 
     
     
  •  
    Move Section Ligand Chemical Component Hide
    Identifier Name Formula Interaction View Links
    ACT     ACETATE ION C2 H3 O2 3DLigand Explorer Link out to Ligand Expos:ACT Link out to SuperLigands:ACT Link out to SuperHapten:ACT
    DR7     (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-
    (PHENYLMETHYL)-6-[[4- (2-PYRIDINYL)PHENYL]METHYL]-2,5,6,10,13
    -PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER     		C38 H52 N6 O7 3DLigand Explorer Link out to Ligand Expos:DR7 Link out to SuperLigands:DR7 Link out to SuperHapten:DR7
    SO4     SULFATE ION O4 S 3DLigand Explorer Link out to Ligand Expos:SO4 Link out to SuperLigands:SO4 Link out to SuperHapten:SO4
     
     
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Biological assembly assigned by authors and generated by PISA (software)
 
 
 
  •  
    Move Section Deposition Summary Hide
    Authors:   Klei, H.E.,   Sheriff, S.

    Deposition:   2006-02-04
    Release:   2007-02-20
    Last Modified (REVDAT):   2010-01-12
     
     
  •  
    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]: 1.60
    R-Value: 0.235 (obs.)
    R-Free: 0.246
    Space Group: P 21 21 21
    Unit Cell:
      Length [Å] Angles [°]
    a = 53.38 α = 90.00 
    b = 58.21 β = 90.00 
    c = 61.28 γ = 90.00