Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form II)

Structure

x-ray diffraction · resolution 2.5 · 2 distinct chains · 28% helix, 31% strand (DSSP).

Ligands and binding sites

• GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
• ZN · Zinc ion · metal · 2 copies · chains B
• MG · Magnesium ion · metal · chains A
• CL · Chloride ion · ion · 3 copies · chains A, B
• GOL · Glycerol · additive · 2 copies · chains B
• IPA · Isopropyl alcohol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1290 Ų buried · 32 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

• 6XHB · Crystal structure of wild-type KRAS (gmppnp-bound) in complex with RAS-binding domain… · the same entry in another collection · chain A against A, TM-score 1.00
• P04049 · AlphaFold monomer V2.0 prediction for RAF proto-oncogene SERINE/THREONINE-protein kinase… · a predicted model of the same protein · chain B against A, TM-score 0.76

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P01116
• Every structure of UniProt P04049
• Elsewhere: RCSB PDB 6XHB · PDBe 6XHB · UniProt P01116 · UniProt P04049