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› 6h46

X-ray diffraction
2.22Å resolution

Human KRAS in complex with darpin K13

Released:
DOI: 10.2210/pdb6h46/pdb
Model geometry
Fit model/data
PDB entry 6h46 coloured by chain, front view.
PDB entry 6h46 coloured by chain, side view.
PDB entry 6h46 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe.
Bery N, Legg S, Debreczeni J, Breed J, Embrey K, Stubbs C, Kolasinska-Zwierz P, Barrett N, Marwood R, Watson J, Tart J, Overman R, Miller A, Phillips C, Minter R, Rabbitts TH
OpenAccess logo Nat Commun 10 2607 (2019)
PMID: 31197133

Function and Biology Details

Reaction catalysed: 
GTP + H2O = GDP + phosphate + H(+).
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-134013 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
GTPase KRas, N-terminally processed Chain: A
Molecule details ›
Chain: A
Length: 169 amino acids
Theoretical weight: 19.21 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P01116 (Residues: 1-166; Coverage: 88%)
  • Best match: P01116-2 (Residues: 1-166)
Gene names: KRAS, KRAS2, RASK2
Sequence domains: Ras family
Structure domains: P-loop containing nucleotide triphosphate hydrolases
darpin K13 Chain: B
Molecule details ›
Chain: B
Length: 156 amino acids
Theoretical weight: 16.83 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
Structure domains: Ankyrin repeat-containing domain

Ligands and Environments

2 bound ligands:
Ligand GDP 1 x GDP
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P43212
Unit cell:
a: 79.295Å b: 79.295Å c: 130.025Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.183 0.23
Expression system: Escherichia coli BL21

Quick links

Citations

18 review citations

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

11 mentions without citation

Therapeutic targeting of RAS: New hope for drugging the "undruggable".
Khan et al. (2020)
10 more