› 7cxd

X-ray diffraction
1.71Å resolution

Xray structure of rat Galectin-3 CRD in complex with TD-139 belonging to P121 space group

Released:
DOI: 10.2210/pdb7cxd/pdb
PDB entry 7cxd coloured by chain, front view.
PDB entry 7cxd coloured by chain, side view.
PDB entry 7cxd coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3.
Kumar A, Paul M, Panda M, Jayaram S, Kalidindi N, Sale H, Vetrichelvan M, Gupta A, Mathur A, Beno B, Regueiro-Ren A, Cheng D, Ramarao M, Ghosh K
Glycobiology 31 1390-1400 (2021)
PMID: 34228782

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-140299 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Galectin-3 Chains: A, B, D, E
Molecule details ›
Chains: A, B, D, E
Length: 146 amino acids
Theoretical weight: 16.4 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: P08699 (Residues: 120-262; Coverage: 55%)
Gene name: Lgals3
Sequence domains: Galactoside-binding lectin

Ligands and Environments

2 bound ligands:
Ligand BR 5 x BR
Ligand TD2 4 x TD2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P21
Unit cell:
a: 67.241Å b: 58.712Å c: 70.773Å
α: 90° β: 113.85° γ: 90°
R-values:
R R work R free
0.227 0.226 0.248
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Discovery and Optimization of the First Highly Effective and Orally Available Galectin-3 Inhibitors for Treatment of Fibrotic Disease.
Zetterberg et al. (2022)