GH54 a-L-arabinofuranosidase soaked with aziridine inhibitor

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 39% strand (DSSP).

Ligands and binding sites

• ALA · Alanine · ligand · chains A
• LXE · [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
• SO4 · Sulfate ion · ion · 4 copies · chains A
• PEG · Di(hydroxyethyl)ether · additive · 9 copies · chains A
• EDO · 1,2-ethanediol · additive · 9 copies · chains A
• PGE · Triethylene glycol · additive · 3 copies · chains A
• ACT · Acetate ion · additive · 2 copies · chains A

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

Pockets

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

Modifications

Observed in the structure: 4 disulfide, 2 glycan, 1 covalent (disulfide, N-glycosylation, covalent ligand).

Compared structures

• 6SXT · GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
• Q8NK89 · AlphaFold monomer V2.0 prediction for alpha-L-arabinofuranosidase B (Q8NK89) · a predicted model of the same protein · chain A 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 Q8NK89
• Elsewhere: RCSB PDB 6SXT · PDBe 6SXT · UniProt Q8NK89