PDB entry 4k4r

View 4k4r on RCSB PDB site
Description: TL-3 inhibited Trp6Ala HIV Protease with 1-bromo-2-napthoic acid bound in exosite
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: Gag-Pol polyprotein
  Species: Human immunodeficiency virus type 1 [TaxId:11683]
  Gene: gag-pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot P12499 (0-98)
    • engineered mutation (5)
    • see remark 999 (6)
    • see remark 999 (40)
  Domains in SCOPe 2.08: d4k4ra_
• Chain 'B':
  Compound: Gag-Pol polyprotein
  Species: Human immunodeficiency virus type 1 [TaxId:11683]
  Gene: gag-pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot P12499 (0-98)
    • engineered mutation (5)
    • see remark 999 (6)
    • see remark 999 (40)
  Domains in SCOPe 2.08: d4k4rb_
• Heterogens: DMS, 27B, NO3, 3TL, BR, HOH

PDB Chain Sequences:

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

  >4k4rA (A:)
  pqitlakrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >4k4rB (B:)
  pqitlakrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf