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Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C, alternative space group

X-ray diffraction
1.927Å resolution
PDB entry 4lyj coloured by chain, front view.
PDB entry 4lyj coloured by chain, side view.
PDB entry 4lyj coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: GTPase KRas, N-terminally processed
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Multimeric state: monomeric
Accessible surface area: 8229.25 Å2
Buried surface area: 1733.35 Å2
Dissociation area: 80.67 Å2
Dissociation energy (ΔGdiss): 12.56 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133991

Macromolecules

GTPase KRas, N-terminally processed
Chain: A
Length: 170 amino acids
Theoretical weight: 19.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01116 (Residues: 1-169; Coverage: 89%)
Gene names: KRAS, KRAS2, RASK2
Pfam: Ras family
InterPro:
CATH: P-loop containing nucleotide triphosphate hydrolases
GTPase KRas, N-terminally processed in PDB entry 4lyj, assembly 1, front view.
GTPase KRas, N-terminally processed in PDB entry 4lyj, assembly 1, side view.
GTPase KRas, N-terminally processed in PDB entry 4lyj, assembly 1, top view.
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