› 7rh1

X-ray diffraction
1.44Å resolution

Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-b-D-talopyranoside

Released:
DOI: 10.2210/pdb7rh1/pdb
PDB entry 7rh1 coloured by chain, front view.
PDB entry 7rh1 coloured by chain, side view.
PDB entry 7rh1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
Bum-Erdene K, Collins PM, Hugo MW, Tarighat SS, Fei F, Kishor C, Leffler H, Nilsson UJ, Groffen J, Grice ID, Heisterkamp N, Blanchard H
J Med Chem 65 5975-5989 (2022)
PMID: 35427125

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: 15.74 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

Ligands and Environments

2 bound ligands:
Ligand CL 2 x CL
Ligand 5EI 1 x 5EI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P212121
Unit cell:
a: 36.163Å b: 58.34Å c: 63.188Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.18 0.221
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Inhibition of galectins in cancer: Biological challenges for their clinical application.
Laderach et al. (2022)
1 more