Crystal structure of human galectin-4 C-terminal carbohydrate recognition domain in complex with galactose derivative

Structure

x-ray diffraction · 3 distinct chains · 2% helix, 51% strand (DSSP).

Ligands and binding sites

• U61 · 2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol · ligand · 2 copies · chains A, B
• GOL · Glycerol · additive · 2 copies · chains A, C

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

Pockets

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

Interfaces

5 interfaces between chains.

• A–D · 524 Ų buried · 11 hydrogen bonds · protein-protein
• B–C · 491 Ų buried · 11 hydrogen bonds · protein-protein
• B–D · 328 Ų buried · 5 hydrogen bonds · protein-protein
• A–C · 271 Ų buried · 5 hydrogen bonds · protein-protein
• A–B · 19 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

• 6WAB · Crystal structure of human galectin-4 C-terminal carbohydrate recognition domain in… · the same entry in another collection · chain A against A, TM-score 1.00
• P56470 · AlphaFold monomer V2.0 prediction for galectin-4 (P56470) · a predicted model of the same protein · chain D 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 P56470
• Elsewhere: RCSB PDB 6WAB · PDBe 6WAB · UniProt P56470