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CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943
1S6P
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Transferase
    Structure Weight: 115171.57
    Molecule: POL polyprotein [Contains: Reverse transcriptase]
    Polymer: 1 Type: protein Length: 560
    Chains: A
    EC#: 2.7.7.49    2.7.7.7    3.1.26.13   
    Fragment: P66 SUBUNIT
    Mutation: YES
    Organism: Human immunodeficiency virus 1
    Gene Name: gag-pol
    UniProtKB: Protein Feature View | Search PDB | P03366  
    Molecule: POL polyprotein [Contains: Reverse transcriptase]
    Polymer: 2 Type: protein Length: 430
    Chains: B
    EC#: 2.7.7.49    2.7.7.7    3.1.26.13   
    Fragment: P51 SUBUNIT
    Mutation: YES
    Organism: Human immunodeficiency virus 1
    Gene Name: gag-pol
    UniProtKB: Protein Feature View | Search PDB | P03366  
     
  •   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  
    Polymer: 2
    Scientific Name: Human immunodeficiency virus 1   Taxonomy   Expression System: Escherichia coli  
     
  •   Related PDB Entries Hide
    Identifier Details
    1DLO   
    1HNI  1HNI IS THE STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN A COMPLEX WITH THE NON-NUCLEOSIDE INHIBITOR ALPHA-APA R 95845 
    1HNV  1HNV IS THE STRUCTURE OF HIV-1 RT/TIBO R 86183 COMPLEX 
    1S6Q  IS6Q IS THE STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH JANSSEN-R147681 
    1S9E  1S9E IS THE STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH JANSSEN-R129385 
    1S9G  1S9G IS THE STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH JANSSEN-R120394 
    1SUQ  ISUQ IS THE STRUCTURE OF K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH JANSSEN-R165335 
    1SV5  1SV5 IS THE STRUCTURE OF K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH JANSSEN-R165335 
    2HMI  2HMI IS HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH A DOUBLE -STRANDED DNA AND FAB28 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    IET
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    IET C16 H12 Cl2 N4 S
    1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)- 1-IMINO-ETHYL]-THIOUREA
    IET:1S6P
    MG
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    MG Mg
    MAGNESIUM ION
     
  •   External Domain Annotations Hide
     
  •   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:   Das, K.,  Arnold, E.

    Deposition:   2004-01-26
    Release:   2004-05-11
    Last Modified (REVDAT):   2010-10-13
     
  •   Revision History    Hide
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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]:   2.90
    R-Value: 0.245 (obs.)
    R-Free: 0.312
    Space Group: C 2
    Unit Cell:
      Length [Å] Angles [°]
    a = 226.70 α = 90.00 
    b = 67.40 β = 107.00 
    c = 104.30 γ = 90.00