› 6i74

X-ray diffraction
0.96Å resolution

Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1

Released:
DOI: 10.2210/pdb6i74/pdb
PDB entry 6i74 coloured by chain, front view.
PDB entry 6i74 coloured by chain, side view.
PDB entry 6i74 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Kumar R, Peterson K, Misini Ignjatović M, Leffler H, Ryde U, Nilsson UJ, Logan DT
Org Biomol Chem 17 1081-1089 (2019)
PMID: 30632578

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
Structure domains: Jelly Rolls

Ligands and Environments

1 bound ligand:
Ligand H5Z 1 x H5Z
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I911-3
Spacegroup: P212121
Unit cell:
a: 36.654Å b: 57.781Å c: 62.755Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.133 0.132 0.147
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 citation in other articles

Understanding the role of galectin inhibitors as potential candidates for SARS-CoV-2 spike protein: in silico studies.
Sethi et al. (2020)
4 more

3 mentions without citation

Aminopyrimidine-galactose hybrids are highly selective galectin-3 inhibitors.
Dahlqvist et al. (2019)
2 more