› 5e88

X-ray diffraction
1.6Å resolution

Crystal structure of Human galectin-3 CRD in complex with thienyl-1,2,3-triazolyl thiodigalactoside inhibitor

Released:
DOI: 10.2210/pdb5e88/pdb
PDB entry 5e88 coloured by chain, front view.
PDB entry 5e88 coloured by chain, side view.
PDB entry 5e88 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition.
Delaine T, Collins P, MacKinnon A, Sharma G, Stegmayr J, Rajput VK, Mandal S, Cumpstey I, Larumbe A, Salameh BA, Kahl-Knutsson B, van Hattum H, van Scherpenzeel M, Pieters RJ, Sethi T, Schambye H, Oredsson S, Leffler H, Blanchard H, Nilsson UJ
Chembiochem 17 1759-70 (2016)
PMID: 27356186

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: 139 amino acids
Theoretical weight: 15.76 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P17931 (Residues: 114-250; Coverage: 55%)
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 5KT 1 x 5KT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P212121
Unit cell:
a: 36.464Å b: 58.034Å c: 63.122Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.16 0.159 0.178
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

17 review citations

Galectins at a glance.
Johannes et al. (2018)
16 more

1 mention without citation

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