Crystal structure of NRAS Q61R in complex with GTP and compound 18

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 26% strand (DSSP).

Ligands and binding sites

• GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
• EZZ · (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one · ligand · 2 copies · chains A, B
• MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 665 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

• 6ZIZ · Crystal structure of NRAS Q61R in complex with GTP and compound 18 · the same entry in another collection · chain A against A, TM-score 1.00
• P01111 · AlphaFold monomer V2.0 prediction for GTPase NRAS (P01111) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P01111
• Elsewhere: RCSB PDB 6ZIZ · PDBe 6ZIZ · UniProt P01111