Crystal structure of tandem ww domains of itch in complex with txnip peptide

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 32% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · chains B
• UNX · Unknown atom or ion · ion · 18 copies · chains A, C, B
• NH2 · Amino group · ion · 2 copies · chains B, C

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

Interfaces

2 interfaces between chains.

• A–C · 418 Ų buried · 2 hydrogen bonds · protein-protein
• A–B · 413 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 5CQ2 · Crystal Structure of tandem WW domains of ITCH in complex with TXNIP peptide · the same entry in another collection · chain A against A, TM-score 1.00
• Q96J02 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase itchy homolog (Q96J02) · a predicted model of the same protein · chain A against A, TM-score 0.52
• Q9H3M7 · AlphaFold monomer V2.0 prediction for thioredoxin-interacting protein (Q9H3M7) · a predicted model of the same protein · chain B against A, TM-score 0.43

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 Q96J02
• Every structure of UniProt Q9H3M7
• Elsewhere: RCSB PDB 5CQ2 · PDBe 5CQ2 · UniProt Q96J02 · UniProt Q9H3M7