PDB entry 6usx

View 6usx on RCSB PDB site
Description: Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer
Class: hydrolase/inhibitor
Keywords: Hydrolase inhibitor, HYDROLASE, HYDROLASE-INHIBITOR complex
Deposited on 2019-10-28, released 2020-04-22
The last revision prior to the SCOPe 2.07 freeze date was dated 2020-04-22, with a file datestamp of 2020-04-17.
Experiment type: XRAY
Resolution: 2.27 Å
R-factor: N/A
AEROSPACI score: 0.25 (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 (1-End)
      • variant (12)
      • engineered mutation (51)
      • engineered mutation (80)
      • engineered mutation (118)
    Domains in SCOPe 2.07: d6usxa_
  • Chain 'B':
    Compound: GTPase KRas
    Species: Homo sapiens [TaxId:9606]
    Gene: KRAS, KRAS2, RASK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P01116 (1-End)
      • expression tag (0)
      • variant (12)
      • engineered mutation (51)
      • engineered mutation (80)
      • engineered mutation (118)
    Domains in SCOPe 2.07: d6usxb1, d6usxb2
  • Heterogens: M1R, GDP, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6usxA (A:)
gmteyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildta
gqeeysamrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksd
lpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhkek

    Sequence, based on observed residues (ATOM records): (download) 
    >6usxA (A:)
mteyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildtag
qeeysamrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksdl
psrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6usxB (B:)
gmteyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildta
gqeeysamrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksd
lpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhkek

    Sequence, based on observed residues (ATOM records): (download) 
    >6usxB (B:)
gmteyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildta
gqeeysamrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksd
lpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhke