› 6qlr

X-ray diffraction
0.97Å resolution

Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 5

Released:
DOI: 10.2210/pdb6qlr/pdb
PDB entry 6qlr coloured by chain, front view.
PDB entry 6qlr coloured by chain, side view.
PDB entry 6qlr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Kumar R, Ignjatović MM, Peterson K, Olsson M, Leffler H, Ryde U, Nilsson UJ, Logan DT
ChemMedChem 14 1528-1536 (2019)
PMID: 31246331

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: 138 amino acids
Theoretical weight: 15.7 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P17931 (Residues: 113-250; Coverage: 55%)
Gene names: LGALS3, MAC2
Sequence domains: Galactoside-binding lectin

Ligands and Environments

2 bound ligands:
Ligand J4N 1 x J4N
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I911-3
Spacegroup: P212121
Unit cell:
a: 36.778Å b: 57.822Å c: 62.707Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.138 0.138 0.156
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

The Sweet-Side of Leukocytes: Galectins as Master Regulators of Neutrophil Function.
Robinson et al. (2019)
1 more

2 mentions without citation

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