PDB entry 4m22

View 4m22 on RCSB PDB site
Description: Crystal Structure of small molecule acrylamide 16 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 2013-08-05, released 2013-11-27
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-12-18, with a file datestamp of 2013-12-13.
Experiment type: XRAY
Resolution: 2.09 Å
R-factor: 0.182
AEROSPACI score: 0.36 (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 2.03: d4m22a_
  • 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
      • 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 2.03: d4m22b_
  • 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
      • 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 2.03: d4m22c_
  • Heterogens: MG, GDP, 22C, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4m22A (A:)
    gmteyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildta
    gqeeysamrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksd
    lpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >4m22A (A:)
    mteyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildtar
    dqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksdlpsrtvdtk
    qaqdlarsygipfietsaktrqgvddafytlvreirkhke
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4m22B (B:)
    gmteyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildta
    gqeeysamrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksd
    lpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >4m22B (B:)
    teyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildtagq
    eeysamrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksdlp
    srtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4m22C (C:)
    gmteyklvvvgacgvgksaltiqliqnhfvdeydptiedsyrkqvvidgetslldildta
    gqeeysamrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksd
    lpsrtvdtkqaqdlarsygipfietsaktrqgvddafytlvreirkhkek
    

    Sequence, based on observed residues (ATOM records): (download)
    >4m22C (C:)
    teyklvvvgacgvgksaltiqliqnhfvddptiedsyrkqvvidgetslldildtagmrd
    qymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksdlpsrtvdtkq
    aqdlarsygipfietsaktrqgvddafytlvreirkhke