› 4dso

X-ray diffraction
1.85Å resolution

Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity

Released:
DOI: 10.2210/pdb4dso/pdb
PDB entry 4dso coloured by chain, front view.
PDB entry 4dso coloured by chain, side view.
PDB entry 4dso coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Maurer T, Garrenton LS, Oh A, Pitts K, Anderson DJ, Skelton NJ, Fauber BP, Pan B, Malek S, Stokoe D, Ludlam MJ, Bowman KK, Wu J, Giannetti AM, Starovasnik MA, Mellman I, Jackson PK, Rudolph J, Wang W, Fang G
Proc Natl Acad Sci U S A 109 5299-304 (2012)
PMID: 22431598

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 Chain: A
Molecule details ›
Chain: A
Length: 189 amino acids
Theoretical weight: 21.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P01116 (Residues: 2-189; Coverage: 99%)
Gene names: KRAS, KRAS2, RASK2
Sequence domains: Ras family
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

4 bound ligands:
Ligand GSP 1 x GSP
Ligand MG 1 x MG
Ligand BEN 1 x BEN
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: R3
Unit cell:
a: 79.374Å b: 79.374Å c: 77.749Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.17 0.207
Expression system: Escherichia coli

Quick links

Citations

124 review citations

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

39 mentions without citation

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