PDB entry 4m1y

View 4m1y on RCSB PDB site
Description: Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C
Class: signaling protein/inhibitor
Keywords: GTPase, GDP bound, small molecule inhibitor, covalent binder, SIGNALING PROTEIN-INHIBITOR complex
Deposited on 2013-08-04, released 2013-11-27
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-12-18, with a file datestamp of 2013-12-13.
Experiment type: XRAY
Resolution: 1.49 Å
R-factor: 0.168
AEROSPACI score: 0.57 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: K-Ras GTPase
    Species: Homo sapiens [TaxId:9606]
    Gene: KRAS, KRAS isoform 2B, KRAS2, RASK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P01116 (1-End)
      • variant (12)
      • engineered mutation (51)
      • engineered mutation (80)
      • engineered mutation (118)
      • see remark 999 (151)
      • see remark 999 (153)
      • see remark 999 (165-168)
    Domains in SCOPe 2.06: d4m1ya_
  • Chain 'B':
    Compound: K-Ras GTPase
    Species: Homo sapiens [TaxId:9606]
    Gene: KRAS, KRAS isoform 2B, KRAS2, RASK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P01116 (1-169)
      • variant (12)
      • engineered mutation (51)
      • engineered mutation (80)
      • engineered mutation (118)
      • see remark 999 (151)
      • see remark 999 (153)
      • see remark 999 (165-168)
    Domains in SCOPe 2.06: d4m1yb_
  • Chain 'C':
    Compound: K-Ras GTPase
    Species: Homo sapiens [TaxId:9606]
    Gene: KRAS, KRAS isoform 2B, KRAS2, RASK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P01116 (1-End)
      • variant (12)
      • engineered mutation (51)
      • engineered mutation (80)
      • engineered mutation (118)
      • see remark 999 (151)
      • see remark 999 (153)
      • see remark 999 (165-167)
    Domains in SCOPe 2.06: d4m1yc_
  • Heterogens: GDP, 21S, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4m1yA (A:)
    gmteyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildta
    gqeeysamrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksd
    lpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >4m1yA (A:)
    mteyklvvvgacgvgksaltiqliqnhfvdeedsyrkqvvidgetslldildtageeysa
    mrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksdlpsrtvd
    tkqaqdlarsygipfietsaktrqgvddafytlvreirkhke
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4m1yB (B:)
    gmteyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildta
    gqeeysamrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksd
    lpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >4m1yB (B:)
    mteyklvvvgacgvgksaltiqliqnhfvdsyrkqvvidgetslldildtagqeeysamr
    dqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksdlpsrtvdtk
    qaqdlarsygipfietsaktrqgvddafytlvreirkhkek
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4m1yC (C:)
    gmteyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildta
    gqeeysamrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksd
    lpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >4m1yC (C:)
    mteyklvvvgacgvgksaltiqliqnhfvsyrkqvvidgetslldildtagrdqymrtge
    gfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksdlpsrtvdtkqaqdlars
    ygipfietsaktrqgvddafytlvreirkhk