PDB entry 5oct

View 5oct on RCSB PDB site
Description: Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
Class: hydrolase
Keywords: Domain antibodies, small molecules, drug fragment screening, HYDROLASE
Deposited on 2017-07-03, released 2018-08-22
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-08-22, with a file datestamp of 2018-08-17.
Experiment type: XRAY
Resolution: 2.07 Å
R-factor: N/A
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: GTPase KRas
    Species: Homo sapiens [TaxId:9606]
    Gene: KRAS, KRAS2, RASK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P01116 (18-End)
      • expression tag (14-17)
      • engineered mutation (78)
    Domains in SCOPe 2.07: d5octa1, d5octa2
  • Chain 'B':
    Compound: GTPase KRas
    Species: Homo sapiens [TaxId:9606]
    Gene: KRAS, KRAS2, RASK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P01116 (18-End)
      • expression tag (14-17)
      • engineered mutation (78)
    Domains in SCOPe 2.07: d5octb1, d5octb2
  • Chain 'C':
    Compound: GTPase KRas
    Species: Homo sapiens [TaxId:9606]
    Gene: KRAS, KRAS2, RASK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P01116 (18-End)
      • expression tag (14-17)
    Domains in SCOPe 2.07: d5octc1, d5octc2
  • Chain 'D':
    Compound: GTPase KRas
    Species: Homo sapiens [TaxId:9606]
    Gene: KRAS, KRAS2, RASK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P01116 (18-End)
      • expression tag (14-17)
    Domains in SCOPe 2.07: d5octd1, d5octd2
  • Chain 'E':
    Compound: GTPase KRas
    Species: Homo sapiens [TaxId:9606]
    Gene: KRAS, KRAS2, RASK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P01116 (18-End)
      • expression tag (14-17)
    Domains in SCOPe 2.07: d5octe1, d5octe2
  • Chain 'F':
    Compound: GTPase KRas
    Species: Homo sapiens [TaxId:9606]
    Gene: KRAS, KRAS2, RASK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P01116 (18-End)
      • expression tag (14-17)
    Domains in SCOPe 2.07: d5octf1, d5octf2
  • Heterogens: GNP, 9R5, PEG, MG, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5octA (A:)
    mhhhhhhssgrenlyfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrk
    qvvidgetclldildtagheeysamrdqymrtgegflcvfainntksfedihhyreqikr
    vkdsedvpmvlvgnkcdlpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvre
    irkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >5octA (A:)
    yfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrkqvvidgetclldil
    dtagheeysamrdqymrtgegflcvfainntksfedihhyreqikrvkdsedvpmvlvgn
    kcdlpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhke
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5octB (B:)
    mhhhhhhssgrenlyfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrk
    qvvidgetclldildtagheeysamrdqymrtgegflcvfainntksfedihhyreqikr
    vkdsedvpmvlvgnkcdlpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvre
    irkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >5octB (B:)
    yfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrkqvvidgetclldil
    dtaghsamrdqymrtgegflcvfainntksfedihhyreqikrvkdsedvpmvlvgnkcd
    lpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhke
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5octC (C:)
    mhhhhhhssgrenlyfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrk
    qvvidgetclldildtagheeysamrdqymrtgegflcvfainntksfedihhyreqikr
    vkdsedvpmvlvgnkcdlpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvre
    irkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >5octC (C:)
    yfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrkqvvidgetclldil
    dtagrdqymrtgegflcvfainntksfedihhyreqikrvkdsedvpmvlvgnkcdlpsr
    tvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhke
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5octD (D:)
    mhhhhhhssgrenlyfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrk
    qvvidgetclldildtagheeysamrdqymrtgegflcvfainntksfedihhyreqikr
    vkdsedvpmvlvgnkcdlpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvre
    irkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >5octD (D:)
    yfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrkqvvidgetclldil
    dtagrdqymrtgegflcvfainntksfedihhyreqikrvkdsedvpmvlvgnkcdlpsr
    tvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhk
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5octE (E:)
    mhhhhhhssgrenlyfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrk
    qvvidgetclldildtagheeysamrdqymrtgegflcvfainntksfedihhyreqikr
    vkdsedvpmvlvgnkcdlpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvre
    irkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >5octE (E:)
    yfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrkqvvidgetclldil
    dtagrdqymrtgegflcvfainntksfedihhyreqikrvkdsedvpmvlvgnkcdlpsr
    tvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhke
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5octF (F:)
    mhhhhhhssgrenlyfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrk
    qvvidgetclldildtagheeysamrdqymrtgegflcvfainntksfedihhyreqikr
    vkdsedvpmvlvgnkcdlpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvre
    irkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >5octF (F:)
    yfqgmteyklvvvgaggvgksaltiqliqnhfvdeydptiedsyrkqvvidgetclldil
    dtagrdqymrtgegflcvfainntksfedihhyreqikrvkdsedvpmvlvgnkcdlpsr
    tvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhke