Crystal structure of concanavalin a complexed with a synthetic derivative of high-mannose chain

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 46% strand (DSSP).

Ligands and binding sites

• M3N · 4-(hydroxymethyl)-1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazole · ligand · 2 copies · chains A, B
• MN · Manganese (II) ion · metal · 4 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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 · 1150 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

• 4PF5 · Crystal structure of Concanavalin A complexed with a synthetic derivative of high-mannose… · the same entry in another collection · chain A against A, TM-score 1.00
• P02866 · AlphaFold monomer V2.0 prediction for concanavalin-a (P02866) · a predicted model of the same protein · chain B against A, TM-score 0.50

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 P02866
• Elsewhere: RCSB PDB 4PF5 · PDBe 4PF5 · UniProt P02866