PDB entry 3ekt

View 3ekt on RCSB PDB site
Description: Crystal Structure of the inhibitor Darunavir (DRV) in complex with a multi-drug resistant HIV-1 protease variant (L10F/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation.)
Class: hydrolase
Keywords: HIV-1, protease, multi-drug resistance, Darunavir, AIDS, HYDROLASE
Deposited on 2008-09-19, released 2009-09-01
The last revision prior to the SCOPe 2.06 freeze date was dated 2012-10-17, with a file datestamp of 2012-10-12.
Experiment type: XRAY
Resolution: 1.97 Å
R-factor: 0.211
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Protease
    Species: HIV-1 M:B_ARV2/SF2 [TaxId:11685]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03369 (0-98)
      • engineered (6)
      • engineered (9)
      • engineered (47)
      • engineered (53)
      • engineered (63)
      • engineered (81)
    Domains in SCOPe 2.06: d3ekta_
  • Chain 'B':
    Compound: Protease
    Species: HIV-1 M:B_ARV2/SF2 [TaxId:11685]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03369 (0-98)
      • engineered (6)
      • engineered (9)
      • engineered (47)
      • engineered (53)
      • engineered (63)
      • engineered (81)
    Domains in SCOPe 2.06: d3ektb_
  • Chain 'C':
    Compound: Protease
    Species: HIV-1 M:B_ARV2/SF2 [TaxId:11685]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03369 (0-98)
      • engineered (6)
      • engineered (9)
      • engineered (47)
      • engineered (53)
      • engineered (63)
      • engineered (81)
    Domains in SCOPe 2.06: d3ektc_
  • Chain 'D':
    Compound: Protease
    Species: HIV-1 M:B_ARV2/SF2 [TaxId:11685]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03369 (0-98)
      • engineered (6)
      • engineered (9)
      • engineered (47)
      • engineered (53)
      • engineered (63)
      • engineered (81)
    Domains in SCOPe 2.06: d3ektd_
  • Heterogens: ACT, 017, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3ektA (A:)
pqitlwkrpivtiriggqlkealldtgaddtvleemnlpgkwkpkmivgiggfvkvrqyd
qipieicghkaigtvlvgptpaniigrnlltqigctlnf

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3ektB (B:)
pqitlwkrpivtiriggqlkealldtgaddtvleemnlpgkwkpkmivgiggfvkvrqyd
qipieicghkaigtvlvgptpaniigrnlltqigctlnf

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3ektC (C:)
pqitlwkrpivtiriggqlkealldtgaddtvleemnlpgkwkpkmivgiggfvkvrqyd
qipieicghkaigtvlvgptpaniigrnlltqigctlnf

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3ektD (D:)
pqitlwkrpivtiriggqlkealldtgaddtvleemnlpgkwkpkmivgiggfvkvrqyd
qipieicghkaigtvlvgptpaniigrnlltqigctlnf