› 6f2q

Hybrid

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

Released:
DOI: 10.2210/pdb6f2q/pdb
PDB 6f2q coloured by chain and viewed from the front.
PDB 6f2q coloured by chain and viewed from the side.
PDB 6f2q coloured by chain and viewed from the top.
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. (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)
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: Neutron Diffraction, X-ray 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

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Citations

2 review citations

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