Crystal structure of the roq domain of human roquin-1

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 7% strand (DSSP).

Ligands and binding sites

• ZN · Zinc ion · metal · chains A
• UNX · Unknown atom or ion · ion · 7 copies · chains A, B
• CL · Chloride ion · ion · 5 copies · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
• GOL · Glycerol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 878 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

• 4YWQ · Crystal structure of the ROQ domain of human Roquin-1 · the same entry in another collection · chain A against A, TM-score 1.00
• Q5TC82 · AlphaFold monomer V2.0 prediction for roquin-1 (Q5TC82) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 Q5TC82
• Elsewhere: RCSB PDB 4YWQ · PDBe 4YWQ · UniProt Q5TC82