› 6f2q

Hybrid

Neutron crystal structure of perdeuterated galectin-3C in the ligand-free form

Released:
DOI: 10.2210/pdb6f2q/pdb
PDB entry 6f2q coloured by chain, front view.
PDB entry 6f2q coloured by chain, side view.
PDB entry 6f2q coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
Manzoni F, Wallerstein J, Schrader TE, Ostermann A, Coates L, Akke M, Blakeley MP, Oksanen E, Logan DT
J Med Chem 61 4412-4420 (2018)
PMID: 29672051

Function and Biology Details

Biochemical function:
  • not assigned
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
UniProt:
  • Canonical: P17931 (Residues: 113-250; Coverage: 55%)
Gene names: LGALS3, MAC2
Sequence domains: Galactoside-binding lectin
Structure domains: Jelly Rolls

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Experimental Method: X-ray diffraction, Neutron Diffraction
X-ray source: ESRF BEAMLINE BM30A, ILL BEAMLINE LADI III
Spacegroup: P212121
Unit cell:
a: 37.39Å b: 58.62Å c: 64.02Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.138 0.137 0.154
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Protein X-ray Crystallography and Drug Discovery.
Maveyraud et al. (2020)
1 more

1 mention without citation

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