Crystal structure of the GRB2 SH2 domain in complex with a flexible ac-py-Q-N-NH2 tripeptide mimic

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 29% strand (DSSP).

Ligands and binding sites

• FYQ · N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide · ligand · 2 copies · chains A, B
• MG · Magnesium ion · metal · chains A
• CL · Chloride ion · ion · 4 copies · chains A, B

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

Interfaces

1 interface between chains.

• A–B · 1093 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

• 3IMD · Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2… · the same entry in another collection · chain A against A, TM-score 1.00
• P62993 · AlphaFold monomer V2.0 prediction for growth factor receptor-bound protein 2 (P62993) · a predicted model of the same protein · chain B against A, TM-score 0.96

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 P62993
• Elsewhere: RCSB PDB 3IMD · PDBe 3IMD · UniProt P62993