› 6q17

X-ray diffraction
1.98Å resolution

Crystal structure of Human galectin-3 CRD in complex with Methyl 3-O-[1-(b-D-galactopyranosyl)-1,2,3-triazol-4-yl]-methyl-b-D-galactopyranoside

Released:
DOI: 10.2210/pdb6q17/pdb
PDB entry 6q17 coloured by chain, front view.
PDB entry 6q17 coloured by chain, side view.
PDB entry 6q17 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Dussouy C, Kishor C, Lambert A, Lamoureux C, Blanchard H, Grandjean C
Chem Biol Drug Des 96 1123-1133 (2020)
PMID: 32220037

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148215 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Galectin-3 Chain: A
Molecule details ›
Chain: A
Length: 139 amino acids
Theoretical weight: 15.76 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P17931 (Residues: 112-250; Coverage: 56%)
Gene names: LGALS3, MAC2
Sequence domains: Galactoside-binding lectin

Ligands and Environments

2 bound ligands:
Ligand P8J 1 x P8J
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P212121
Unit cell:
a: 35.74Å b: 57.82Å c: 62.59Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.164 0.205
Expression system: Escherichia coli

Quick links

Citations

3 citation in other articles

Design and synthesis of novel 3-triazolyl-1-thiogalactosides as galectin-1, -3 and -8 inhibitors.
van Klaveren et al. (2022)
2 more

1 mention without citation

Computational Study of Potential Galectin-3 Inhibitors in the Treatment of COVID-19.
Aminpour et al. (2021)