› 6b0v

X-ray diffraction
1.29Å resolution

Crystal Structure of small molecule ARS-107 covalently bound to K-Ras G12C

Released:
DOI: 10.2210/pdb6b0v/pdb
PDB entry 6b0v coloured by chain, front view.
PDB entry 6b0v coloured by chain, side view.
PDB entry 6b0v coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The reactivity-driven biochemical mechanism of covalent KRASG12C inhibitors.
Hansen R, Peters U, Babbar A, Chen Y, Feng J, Janes MR, Li LS, Ren P, Liu Y, Zarrinkar PP
Nat Struct Mol Biol 25 454-462 (2018)
PMID: 29760531

Function and Biology Details

Reaction catalysed: 
GTP + H(2)O = GDP + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133991 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
GTPase KRas, N-terminally processed Chains: A, B
Molecule details ›
Chains: A, B
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
Sequence domains: Ras family
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

3 bound ligands:
Ligand CA 4 x CA
Ligand C8G 2 x C8G
Ligand GDP 2 x GDP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P1
Unit cell:
a: 33.14Å b: 39.88Å c: 62.43Å
α: 77° β: 81.24° γ: 77.58°
R-values:
R R work R free
0.184 0.182 0.218
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

15 review citations

KRAS mutation: from undruggable to druggable in cancer.
Huang et al. (2021)
14 more

5 mentions without citation

KRasG12C inhibitors in clinical trials: a short historical perspective.
Goebel et al. (2020)
4 more