Endoplasmic reticulum aminopeptidase 2 complexed with a hydroxamic ligand

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).

Ligands and binding sites

• UQE · (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide · ligand · 2 copies · chains A, B
• P4G · 1-ethoxy-2-(2-ethoxyethoxy)ethane · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 26 copies · chains A, B
• BMA · beta-D-mannopyranose · sugar · 5 copies · chains B, A
• MAN · alpha-D-mannopyranose · sugar · 4 copies · chains B, A
• ZN · Zinc ion · metal · 2 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 5 copies · 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, 12 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 606 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 glycan, 4 disulfide (N-glycosylation, disulfide).

Compared structures

• 7NSK · Endoplasmic reticulum aminopeptidase 2 complexed with a hydroxamic ligand · 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 A against A, TM-score 0.99

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 7NSK · PDBe 7NSK · UniProt Q6P179