› 3t1m

X-ray diffraction
1.55Å resolution

Crystal structure of human galectin-3 carbohydrate recognition domain in complex with methyl 3-deoxy-2-O-toluoyl-3-N-toluoyl-beta-D-talopyranoside

Released:
DOI: 10.2210/pdb3t1m/pdb
PDB entry 3t1m coloured by chain, front view.
PDB entry 3t1m coloured by chain, side view.
PDB entry 3t1m coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Taloside inhibitors of galectin-1 and galectin-3.
Collins PM, Oberg CT, Leffler H, Nilsson UJ, Blanchard H
Chem Biol Drug Des 79 339-46 (2012)
PMID: 22136701

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: 143 amino acids
Theoretical weight: 16.05 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P17931 (Residues: 108-250; Coverage: 57%)
Gene names: LGALS3, MAC2
Sequence domains: Galactoside-binding lectin
Structure domains: Jelly Rolls

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: MACSCIENCE
Spacegroup: P212121
Unit cell:
a: 37.062Å b: 58.369Å c: 63.805Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.16 0.193
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Galectin-9 in tumor biology: a jack of multiple trades.
Heusschen et al. (2013)
8 more

2 mentions without citation

The Structural Biology of Galectin-Ligand Recognition: Current Advances in Modeling Tools, Protein Engineering, and Inhibitor Design.
Modenutti et al. (2019)
1 more