PDB entry 4lyh

View 4lyh on RCSB PDB site
Description: Crystal Structure of small molecule vinylsulfonamide 9 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 2013-07-31, 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: 1.37 Å
R-factor: 0.165
AEROSPACI score: 0.64 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: GTPase KRas
    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: d4lyha_
  • Chain 'B':
    Compound: GTPase KRas
    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 2.03: d4lyhb_
  • Chain 'C':
    Compound: GTPase KRas
    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: d4lyhc_
  • Heterogens: SO4, GDP, 21F, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4lyhA (A:)
mteyklvvvgacgvgksaltiqliqnhfvdiedsyrkqvvidgetslldildtagqeeys
amrdqymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksdlpsrtv
dtkqaqdlarsygipfietsaktrqgvddafytlvreirkhke

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4lyhB (B:)
mteyklvvvgacgvgksaltiqliqnhfvyrkqvvidgetslldildtagqeeysamrdq
ymrtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksdlpsrtvdtkqa
qdlarsygipfietsaktrqgvddafytlvreirkhkek

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4lyhC (C:)
mteyklvvvgacgvgksaltiqliqnhfvsyrkqvvidgetslldildtagysamrdqym
rtgegfllvfainntksfedihhyreqikrvkdsedvpmvlvgnksdlpsrtvdtkqaqd
larsygipfietsaktrqgvddafytlvreirkhke