› 4ldj

X-ray diffraction
1.15Å resolution

Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas

Released:
DOI: 10.2210/pdb4ldj/pdb
PDB entry 4ldj coloured by chain, front view.
PDB entry 4ldj coloured by chain, side view.
PDB entry 4ldj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Hunter JC, Gurbani D, Ficarro SB, Carrasco MA, Lim SM, Choi HG, Xie T, Marto JA, Chen Z, Gray NS, Westover KD
Proc Natl Acad Sci U S A 111 8895-900 (2014)
PMID: 24889603

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 Chain: A
Molecule details ›
Chain: A
Length: 170 amino acids
Theoretical weight: 19.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01116 (Residues: 1-169; Coverage: 89%)
  • Best match: P01116-2 (Residues: 1-169)
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 1 x GDP
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 39.071Å b: 40.724Å c: 91.431Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.133 0.132 0.162
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

48 review citations

RAS isoforms and mutations in cancer at a glance.
Hobbs et al. (2016)
47 more

16 mentions without citation

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