The NMR ensemble structure of the itk SH2 domain bound to a phosphopeptide

Structure

solution nmr · 2 distinct chains · 22% helix, 25% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 2 copies · chains A, B
• NH2 · Amino group · ion · 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 · 370 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent, 1 modified (covalent ligand, phosphorylation).

Compared structures

• 2EU0 · The NMR ensemble structure of the Itk SH2 domain bound to a phosphopeptide · the same entry in another collection · chain A against A, TM-score 1.00
• Q03526 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase ITK/TSK (Q03526) · a predicted model of the same protein · chain A against A, TM-score 0.79
• Q60787 · AlphaFold monomer V2.0 prediction for lymphocyte cytosolic protein 2 (Q60787) · a predicted model of the same protein · chain B against A, TM-score 0.49

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 Q03526
• Every structure of UniProt Q60787
• Elsewhere: RCSB PDB 2EU0 · PDBe 2EU0 · UniProt Q03526 · UniProt Q60787