› 4lyf

X-ray diffraction
1.57Å resolution

Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C

Released:
DOI: 10.2210/pdb4lyf/pdb
PDB entry 4lyf coloured by chain, front view.
PDB entry 4lyf coloured by chain, side view.
PDB entry 4lyf 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:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-134032 (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 21C 1 x 21C
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: C2
Unit cell:
a: 68.265Å b: 83.835Å c: 86.186Å
α: 90° β: 110.9° γ: 90°
R-values:
R R work R free
0.17 0.169 0.192
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

395 review citations

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

10 mentions without citation

Drugging Ras GTPase: a comprehensive mechanistic and signaling structural view.
Lu et al. (2016)
9 more