PDB entry 2ien

View 2ien on RCSB PDB site
Description: Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017)
Class: hydrolase
Keywords: HIV-1 protease, dimer, inhibitor, UIC-94017, TMC114, darunavir, HYDROLASE
Deposited on 2006-09-19, released 2006-10-03
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 1.3 Å
R-factor: 0.134
AEROSPACI score: 0.78 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: GAG, POL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03368
      • engineered (6)
      • engineered (32)
      • engineered (62)
      • engineered (66)
      • engineered (94)
    Domains in SCOPe 2.06: d2iena_
  • Chain 'B':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: GAG, POL
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03368 (0-98)
      • engineered (6)
      • engineered (32)
      • engineered (62)
      • engineered (66)
      • engineered (94)
    Domains in SCOPe 2.06: d2ienb_
  • Heterogens: NA, CL, 017, ACY, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2ienA (A:)
    pqitlwkrplvtikiggqlkealldtgaddtvieemslpgrwkpkmiggiggfikvrqyd
    qiiieiaghkaigtvlvgptpvniigrnlltqigatlnf
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2ienB (B:)
    pqitlwkrplvtikiggqlkealldtgaddtvieemslpgrwkpkmiggiggfikvrqyd
    qiiieiaghkaigtvlvgptpvniigrnlltqigatlnf