Active site of chondroitinase ac lyase revealed by the structure of enzyme-oligosaccharide complexes and mutagenesis

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 29% strand (DSSP).

Ligands and binding sites

• ASG · 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose · ligand · 2 copies · chains A
• IDR · alpha-L-idopyranuronic acid · ligand · 2 copies · chains A
• MXY · 2-O-methyl-beta-L-fucopyranose · ligand
• MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A
• GCU · alpha-D-glucopyranuronic acid · sugar · 2 copies · chains A
• RAM · alpha-L-rhamnopyranose · sugar · 2 copies · chains A
• XYP · beta-D-xylopyranose · sugar · chains A
• CA · Calcium ion · metal · chains A

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

Pockets

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

Modifications

Observed in the structure: 2 glycan (O-glycosylation).

Compared structures

• 1HM2 · Active site of chondroitinase ac lyase revealed by the structure of… · the same entry in another collection · chain A against A, TM-score 1.00
• Q59288 · AlphaFold monomer V2.0 prediction for chondroitinase-ac (Q59288) · 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 Q59288
• Elsewhere: RCSB PDB 1HM2 · PDBe 1HM2 · UniProt Q59288