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Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.

X-ray diffraction
1.48Å resolution
PDB entry 5ocg coloured by chain, front view.
PDB entry 5ocg coloured by chain, side view.
PDB entry 5ocg 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: 8333.3 Å2
Buried surface area: 1635.18 Å2
Dissociation area: 145.05 Å2
Dissociation energy (ΔGdiss): -4.36 kcal/mol
Dissociation entropy (TΔSdiss): 1.14 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133991

Macromolecules

GTPase KRas
Chain: A
Length: 189 amino acids
Theoretical weight: 21.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P01116 (Residues: 2-189; Coverage: 99%)
Gene names: KRAS, KRAS2, RASK2
Pfam: Ras family
InterPro:
CATH: P-loop containing nucleotide triphosphate hydrolases
GTPase KRas in PDB entry 5ocg, assembly 1, front view.
GTPase KRas in PDB entry 5ocg, assembly 1, side view.
GTPase KRas in PDB entry 5ocg, assembly 1, top view.
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