PDB entry 3s85

View 3s85 on RCSB PDB site
Description: Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611.
Class: hydrolase/hydrolase inhibitor
Keywords: Beta Barrel, Acid protease, Aspartic-type endopepidase activity, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-05-27, released 2012-04-11
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-04-11, with a file datestamp of 2012-04-06.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: 0.237
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

• Chain 'A':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85a_
• Chain 'B':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85b_
• Chain 'C':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85c_
• Chain 'D':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85d_
• Chain 'E':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85e_
• Chain 'F':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85f_
• Chain 'G':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85g_
• Chain 'H':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85h_
• Chain 'I':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85i_
• Chain 'J':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85j_
• Chain 'K':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85k_
• Chain 'L':
  Compound: Protease/Reverse transcriptase
  Species: Human immunodeficiency virus 1 [TaxId:11676]
  Gene: pol
  Database cross-references and differences (RAF-indexed):
  • Uniprot Q9QIQ7 (0-98)
  Domains in SCOPe 2.07: d3s85l_
• Heterogens: LK0

PDB Chain Sequences:

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

  >3s85A (A:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >3s85B (B:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >3s85C (C:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >3s85D (D:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >3s85E (E:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >3s85F (F:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >3s85G (G:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >3s85H (H:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >3s85I (I:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >3s85J (J:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >3s85K (K:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf
  

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

  >3s85L (L:)
  pqitlwqrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
  qilieicghkaigtvlvgptpvniigrnlltqigctlnf