Crystal structure of human galectin-9 N-terminal crd in complex with lactose

Structure

x-ray diffraction · 2 distinct chains · 1% helix, 54% strand (DSSP).

Ligands and binding sites

• DTV · (2S,3S)-1,4-dimercaptobutane-2,3-diol · ligand · chains A
• GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, C
• GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, C
• GOL · Glycerol · additive · chains B

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.

Interfaces

3 interfaces between chains.

• A–B · 403 Ų buried · 8 hydrogen bonds · protein-protein
• B–C · 271 Ų buried · 5 hydrogen bonds · protein-protein
• A–C · 225 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 2EAK · Crystal structure of human galectin-9 N-terminal CRD in complex with lactose · the same entry in another collection · chain A against A, TM-score 1.00
• O00182 · AlphaFold monomer V2.0 prediction for galectin-9 (O00182) · a predicted model of the same protein · chain B 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 O00182
• Elsewhere: RCSB PDB 2EAK · PDBe 2EAK · UniProt O00182