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 2.06 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): Domains in SCOPe 2.06: d3s85a_
  • Chain 'B':
    Compound: Protease/Reverse transcriptase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3s85b_
  • Chain 'C':
    Compound: Protease/Reverse transcriptase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3s85c_
  • Chain 'D':
    Compound: Protease/Reverse transcriptase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3s85d_
  • Chain 'E':
    Compound: Protease/Reverse transcriptase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3s85e_
  • Chain 'F':
    Compound: Protease/Reverse transcriptase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3s85f_
  • Chain 'G':
    Compound: Protease/Reverse transcriptase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3s85g_
  • Chain 'H':
    Compound: Protease/Reverse transcriptase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3s85h_
  • Chain 'I':
    Compound: Protease/Reverse transcriptase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3s85i_
  • Chain 'J':
    Compound: Protease/Reverse transcriptase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3s85j_
  • Chain 'K':
    Compound: Protease/Reverse transcriptase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3s85k_
  • Chain 'L':
    Compound: Protease/Reverse transcriptase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: 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