› 6f76

X-ray diffraction
2.2Å resolution

Antibody derived (Abd-8) small molecule binding to KRAS.

Released:
DOI: 10.2210/pdb6f76/pdb
PDB entry 6f76 coloured by chain, front view.
PDB entry 6f76 coloured by chain, side view.
PDB entry 6f76 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions.
Bery N, Cruz-Migoni A, Bataille CJ, Quevedo CE, Tulmin H, Miller A, Russell A, Phillips SE, Carr SB, Rabbitts TH
Elife 7 (2018)
PMID: 29989546

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 hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-134033 (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: 173 amino acids
Theoretical weight: 19.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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 MG 6 x MG
Ligand GNP 6 x GNP
Ligand CVK 4 x CVK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-1
Spacegroup: P212121
Unit cell:
a: 63.19Å b: 118.424Å c: 156.751Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.227 0.226 0.249
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Pharmacological targeting of RAS: Recent success with direct inhibitors.
O'Bryan JP. (2019)
6 more

5 mentions without citation

RAS Nanoclusters: Dynamic Signaling Platforms Amenable to Therapeutic Intervention.
Van et al. (2021)
4 more