PDB entry 4k4q

View 4k4q on RCSB PDB site
Description: TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site
Class: hydrolase/hydrolase inhibitor
Keywords: fragment binding, exosite, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-04-12, released 2013-09-18
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-02-12, with a file datestamp of 2014-02-07.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.197
AEROSPACI score: 0.42 (click here for full SPACI score report)

Chains and heterogens:

• Chain 'A':
  Compound: hiv-1 protease
  Species: Human immunodeficiency virus 1 [TaxId:11683]
  Gene: gag-pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot P12499 (0-98)
    • engineered mutation (5)
    • conflict (6)
    • conflict (40)
  Domains in SCOPe 2.08: d4k4qa_
• Chain 'B':
  Compound: hiv-1 protease
  Species: Human immunodeficiency virus 1 [TaxId:11683]
  Gene: gag-pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot P12499 (0-98)
    • engineered mutation (5)
    • conflict (6)
    • conflict (40)
  Domains in SCOPe 2.08: d4k4qb_
• Heterogens: NO3, BME, DMS, 3TL, 06B, HOH

PDB Chain Sequences:

• Chain 'A':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4k4qA (A:)
  pqitlakrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

  
  
• Chain 'B':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4k4qB (B:)
  pqitlakrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf