PDBe 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:
Source organism: Homo sapiens
Primary publication:
Taloside inhibitors of galectin-1 and galectin-3.
Chem Biol Drug Des 79 339-46 (2012)
PMID: 22136701

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (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:

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