PDB entry 4njt

View 4njt on RCSB PDB site
Description: Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with darunavir
Class: Hydrolase/Hydrolase inhibitor
Keywords: multidrug-resistance, HIV-1 protease, darunavir, non-peptidic inhibitor, protease inhibitor, Hydrolase-Hydrolase inhibitor complex
Deposited on 2013-11-11, released 2014-04-02
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-06-25, with a file datestamp of 2014-06-20.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.202
AEROSPACI score: 0.37 (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): Domains in SCOPe 2.08: d4njta_
  • Chain 'B':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4njtb_
  • Chain 'C':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4njtc_
  • Chain 'D':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4njtd_
  • Heterogens: 017, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4njtA (A:)
pqitlwqrpivtikvggqlkealldtgaddtvledmelpgrwkprmiggiggfvkvrqyd
qipieicghkvigtvlvgptptniigrnlmtqlgftlnf

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4njtB (B:)
pqitlwqrpivtikvggqlkealldtgaddtvledmelpgrwkprmiggiggfvkvrqyd
qipieicghkvigtvlvgptptniigrnlmtqlgftlnf

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4njtC (C:)
pqitlwqrpivtikvggqlkealldtgaddtvledmelpgrwkprmiggiggfvkvrqyd
qipieicghkvigtvlvgptptniigrnlmtqlgftlnf

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4njtD (D:)
pqitlwqrpivtikvggqlkealldtgaddtvledmelpgrwkprmiggiggfvkvrqyd
qipieicghkvigtvlvgptptniigrnlmtqlgftlnf