ERAP2 bound to aryl sulfonamide uncompetitive inhibitor

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 21% strand (DSSP).

Ligands and binding sites

• LYS · Lysine · ligand · 4 copies · chains A, B
• J2G · 4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl) phenyl]sulfamoyl}benzoic acid · ligand · 2 copies · chains A, B
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 21 copies · chains A, B
• MAN · alpha-D-mannopyranose · sugar · 6 copies · chains B, A
• BMA · beta-D-mannopyranose · sugar · 4 copies · chains B, A
• ZN · Zinc ion · metal · 2 copies · chains A, B
• MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
• IMD · Imidazole · additive · 2 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
• PGE · Triethylene glycol · additive · chains A

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 679 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 glycan, 4 disulfide (N-glycosylation, disulfide).

Compared structures

• 6EA4 · ERAP2 bound to Aryl Sulfonamide Uncompetitive Inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
• Q6P179 · AlphaFold monomer V2.0 prediction for endoplasmic reticulum aminopeptidase 2 (Q6P179) · a predicted model of the same protein · chain B against A, TM-score 1.00

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 Q6P179
• Elsewhere: RCSB PDB 6EA4 · PDBe 6EA4 · UniProt Q6P179