› 5usj

X-ray diffraction
1.94Å resolution

Crystal Structure of human KRAS G12D mutant in complex with GDPNP

Released:
DOI: 10.2210/pdb5usj/pdb
PDB entry 5usj coloured by chain, front view.
PDB entry 5usj coloured by chain, side view.
PDB entry 5usj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Multivalent Small-Molecule Pan-RAS Inhibitors.
Welsch ME, Kaplan A, Chambers JM, Stokes ME, Bos PH, Zask A, Zhang Y, Sanchez-Martin M, Badgley MA, Huang CS, Tran TH, Akkiraju H, Brown LM, Nandakumar R, Cremers S, Yang WS, Tong L, Olive KP, Ferrando A, Stockwell BR
Cell 168 878-889.e29 (2017)
PMID: 28235199

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: 189 amino acids
Theoretical weight: 21.5 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

2 bound ligands:
Ligand MG 6 x MG
Ligand GNP 6 x GNP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P1
Unit cell:
a: 63.423Å b: 63.491Å c: 81.991Å
α: 91.51° β: 112.63° γ: 115.44°
R-values:
R R work R free
0.18 0.177 0.238
Expression system: Escherichia coli

Quick links

Citations

48 review citations

RAS-targeted therapies: is the undruggable drugged?
Moore et al. (2020)
47 more

11 mentions without citation

Atypical KRASG12R Mutant Is Impaired in PI3K Signaling and Macropinocytosis in Pancreatic Cancer.
Hobbs et al. (2020)
10 more