› 6q3x

X-ray diffraction
2.1Å resolution

Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'(6'H)-one

Released:
DOI: 10.2210/pdb6q3x/pdb
PDB entry 6q3x coloured by chain, front view.
PDB entry 6q3x coloured by chain, side view.
PDB entry 6q3x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Mackinnon SR, Krojer T, Foster WR, Diaz-Saez L, Tang M, Huber KVM, von Delft F, Lai K, Brennan PE, Arruda Bezerra G, Yue WW
ACS Chem Biol 16 586-595 (2021)
PMID: 33724769

Function and Biology Details

Reaction catalysed: 
ATP + alpha-D-galactose = ADP + alpha-D-galactose 1-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156360 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Galactokinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 393 amino acids
Theoretical weight: 42.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51570 (Residues: 2-392; Coverage: 100%)
Gene names: GALK, GALK1
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand GAL 2 x GAL
Ligand MPD 5 x MPD
Ligand HFK 2 x HFK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: F222
Unit cell:
a: 107.73Å b: 151.68Å c: 230.58Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.191 0.231
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Galactosemia: Biochemistry, Molecular Genetics, Newborn Screening, and Treatment.
Succoio et al. (2022)
1 more