› 5v71

X-ray diffraction
2.23Å resolution

KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder

Released:
DOI: 10.2210/pdb5v71/pdb
PDB entry 5v71 coloured by chain, front view.
PDB entry 5v71 coloured by chain, side view.
PDB entry 5v71 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry.
Lu J, Harrison RA, Li L, Zeng M, Gondi S, Scott D, Gray NS, Engen JR, Westover KD
Structure 25 1442-1448.e3 (2017)
PMID: 28781083

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, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 169 amino acids
Theoretical weight: 19.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: P01116 (Residues: 1-167; Coverage: 88%)
Gene names: KRAS, KRAS2, RASK2
Sequence domains: Ras family
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

3 bound ligands:
Ligand GDP 6 x GDP
Ligand MG 6 x MG
Ligand 8ZG 6 x 8ZG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P3
Unit cell:
a: 84.933Å b: 84.933Å c: 130.785Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.169 0.228
Expression system: Escherichia coli K-12

Quick links

Citations

2 review citations

GLOBAL AND TARGETED PROFILING OF GTP-BINDING PROTEINS IN BIOLOGICAL SAMPLES BY MASS SPECTROMETRY.
Huang et al. (2021)
1 more

6 mentions without citation

The current understanding of KRAS protein structure and dynamics.
Pantsar T. (2020)
5 more