› 4m1s

X-ray diffraction
1.55Å resolution

Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C

Released:
DOI: 10.2210/pdb4m1s/pdb
PDB entry 4m1s coloured by chain, front view.
PDB entry 4m1s coloured by chain, side view.
PDB entry 4m1s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Ostrem JM, Peters U, Sos ML, Wells JA, Shokat KM
Nature 503 548-51 (2013)
PMID: 24256730

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, C
Molecule details ›
Chains: A, B, C
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

2 bound ligands:
Ligand GDP 3 x GDP
Ligand 21K 1 x 21K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: C2
Unit cell:
a: 68.493Å b: 84.821Å c: 86.778Å
α: 90° β: 110.93° γ: 90°
R-values:
R R work R free
0.18 0.18 0.197
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

406 review citations

Drugging the undruggable RAS: Mission possible?
Cox et al. (2014)
405 more

6 mentions without citation

K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Ostrem et al. (2013)
5 more