PDB entry 4njs

View 4njs on RCSB PDB site
Description: Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008
Class: Hydrolase/Hydrolase inhibitor
Keywords: multidrug-resistance, HIV-1 protease, non-peptidic inhibitor, protease inhibitor, darunavir analog, 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: 1.8 Å
R-factor: 0.184
AEROSPACI score: 0.44 (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 Q9J006 (0-98)
      • engineered mutation (94)
    Domains in SCOPe 2.08: d4njsa_
  • Chain 'B':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9J006 (0-98)
      • engineered mutation (94)
    Domains in SCOPe 2.08: d4njsb_
  • Chain 'C':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9J006 (0-98)
      • engineered mutation (94)
    Domains in SCOPe 2.08: d4njsc_
  • Chain 'D':
    Compound: Protease
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9J006 (0-98)
      • engineered mutation (94)
    Domains in SCOPe 2.08: d4njsd_
  • Heterogens: G08, HOH

PDB Chain Sequences:

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

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

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

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