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

Structure

x-ray diffraction · 2 distinct chains · 16% helix, 29% strand (DSSP).

Ligands and binding sites

• AYQ · N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide · ligand · 2 copies · chains A, C

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

Interfaces

1 interface between chains.

• A–C · 1072 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

• 3IN7 · Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained… · the same entry in another collection · chain C against C, 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 C 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 3IN7 · PDBe 3IN7 · UniProt P62993