› 7rse

Solution NMR

NMR-driven structure of the KRAS4B-G12D "alpha-beta" dimer on a lipid bilayer nanodisc

Released:
DOI: 10.2210/pdb7rse/pdb
PDB entry 7rse coloured by chain, ensemble of 20 models, front view.
PDB entry 7rse coloured by chain, ensemble of 20 models, side view.
PDB entry 7rse coloured by chain, ensemble of 20 models, top view.
Source organism: Homo sapiens
Primary publication:
Oncogenic KRAS G12D mutation promotes dimerization through a second, phosphatidylserine-dependent interface: a model for KRAS oligomerization.
Lee KY, Enomoto M, Gebregiworgis T, Gasmi-Seabrook GMC, Ikura M, Marshall CB
Chem Sci 12 12827-12837 (2021)
PMID: 34703570

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:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-134028 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
GTPase KRas Chains: A, B
Molecule details ›
Chains: A, B
Length: 185 amino acids
Theoretical weight: 21.13 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: P01116 (Residues: 2-186; Coverage: 97%)
Gene names: KRAS, KRAS2, RASK2
Sequence domains: Ras family
Truncated apolipoprotein A-I Chains: D, E
Molecule details ›
Chains: D, E
Length: 200 amino acids
Theoretical weight: 23.23 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: P02647 (Residues: 68-265; Coverage: 80%)
Gene name: APOA1
Sequence domains: Apolipoprotein A1/A4/E domain

Ligands and Environments

4 bound ligands:
Ligand GSP 2 x GSP
Ligand MG 2 x MG
Ligand 7Q9 128 x 7Q9
Ligand 17F 32 x 17F
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 1%
Refinement method: simulated annealing
Expression system: Escherichia coli K-12

Quick links

Citations

2 review citations

Multiple Strategies to Develop Small Molecular KRAS Directly Bound Inhibitors.
Zhou et al. (2023)
1 more

1 mention without citation

Oncogenic KRAS G12D mutation promotes dimerization through a second, phosphatidylserine-dependent interface: a model for KRAS oligomerization.
Lee et al. (2021)