PDB entry 3u7s

View 3u7s on RCSB PDB site
Description: HIV PR drug resistant patient's variant in complex with darunavir
Class: hydrolase/hydrolase inhibitor
Keywords: darunvir, resistance, mutation score, HIV protease, TMC-114, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-10-14, released 2012-01-18
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-01-18, with a file datestamp of 2012-01-13.
Experiment type: XRAY
Resolution: 2.05 Å
R-factor: 0.194
AEROSPACI score: 0.42 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Pol polyprotein
    Species: HUMAN IMMUNODEFICIENCY VIRUS 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q993Q5 (0-98)
      • engineered mutation (9)
      • engineered mutation (11)
      • engineered mutation (31-32)
      • enginereed mutation (42)
      • enginereed mutation (53-54)
      • enginereed mutation (71)
      • enginereed mutation (76)
      • enginereed mutation (81)
      • enginereed mutation (88)
      • enginereed mutation (9)
      • enginereed mutation (11)
      • enginereed mutation (31-32)
    Domains in SCOPe 2.07: d3u7sa_
  • Chain 'B':
    Compound: Pol polyprotein
    Species: HUMAN IMMUNODEFICIENCY VIRUS 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q993Q5 (0-98)
      • engineered mutation (9)
      • engineered mutation (11)
      • engineered mutation (31-32)
      • enginereed mutation (42)
      • enginereed mutation (53-54)
      • enginereed mutation (71)
      • enginereed mutation (76)
      • enginereed mutation (81)
      • enginereed mutation (88)
      • enginereed mutation (9)
      • enginereed mutation (11)
      • enginereed mutation (31-32)
    Domains in SCOPe 2.07: d3u7sb_
  • Heterogens: 017, BME, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3u7sA (A:)
    pqitlwqrplvvvkvggqlmealldtgaddtifeemnlpgrwtpkmiggiggflnvrqyd
    qvpieicghkvvstvligptplnvigrnvmtqigctlnf
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3u7sB (B:)
    pqitlwqrplvvvkvggqlmealldtgaddtifeemnlpgrwtpkmiggiggflnvrqyd
    qvpieicghkvvstvligptplnvigrnvmtqigctlnf