› 7df6

X-ray diffraction
1.8Å resolution

Mouse Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor

Released:
DOI: 10.2210/pdb7df6/pdb
Model geometry
Fit model/data
PDB entry 7df6 coloured by chain, front view.
PDB entry 7df6 coloured by chain, side view.
PDB entry 7df6 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
Xu L, Hartz RA, Beno BR, Ghosh K, Shukla JK, Kumar A, Patel D, Kalidindi N, Lemos N, Gautam SS, Kumar A, Ellsworth BA, Shah D, Sale H, Cheng D, Regueiro-Ren A
J Med Chem 64 6634-6655 (2021)
PMID: 33988358

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-147623 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Galectin-3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 165 amino acids
Theoretical weight: 18.64 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P16110 (Residues: 122-264; Coverage: 54%)
Gene name: Lgals3
Sequence domains: Galactoside-binding lectin

Ligands and Environments

1 bound ligand:
Ligand H5O 2 x H5O
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 36.14Å b: 58.14Å c: 130.06Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.19 0.255
Expression system: Escherichia coli

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Citations

2 review citations

Targeting galectin-driven regulatory circuits in cancer and fibrosis.
Mariño et al. (2023)
1 more