PDB entry 3s53

View 3s53 on RCSB PDB site
Description: HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P212121
Class: hydrolase/hydrolase inhibitor
Keywords: DARUNAVIR,HIV/AIDS, drug resistance, aspartic protease, molecular recognition, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-05-20, released 2012-03-21
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-03-21, with a file datestamp of 2012-03-16.
Experiment type: XRAY
Resolution: 1.5 Å
R-factor: 0.207
AEROSPACI score: 0.59 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7SSI0 (0-98)
      • engineered mutation (6)
      • engineered mutation (31-32)
      • engineered mutation (46)
      • engineered mutation (62)
      • engineered mutation (66)
      • engineered mutation (81)
      • engineered mutation (94)
    Domains in SCOPe 2.07: d3s53a_
  • Chain 'B':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7SSI0 (0-98)
      • engineered mutation (6)
      • engineered mutation (31-32)
      • engineered mutation (46)
      • engineered mutation (62)
      • engineered mutation (66)
      • engineered mutation (81)
      • engineered mutation (94)
    Domains in SCOPe 2.07: d3s53b_
  • Heterogens: 017, PO4, IOD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3s53A (A:)
    pqitlwkrplvtikiggqlkealldtgaddtiieemslpgrwkpkmvggiggfikvrqyd
    qiiieiaghkaigtvlvgptpiniigrnlltqigatlnf
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3s53B (B:)
    pqitlwkrplvtikiggqlkealldtgaddtiieemslpgrwkpkmvggiggfikvrqyd
    qiiieiaghkaigtvlvgptpiniigrnlltqigatlnf