› 6zfh

X-ray diffraction
2.44Å resolution

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

Released:
DOI: 10.2210/pdb6zfh/pdb
PDB entry 6zfh coloured by chain, front view.
PDB entry 6zfh coloured by chain, side view.
PDB entry 6zfh 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, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 399 amino acids
Theoretical weight: 43.1 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

2 bound ligands:
Ligand GAL 8 x GAL
Ligand QV2 7 x QV2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 119.872Å b: 97.204Å c: 144.812Å
α: 90° β: 98.51° γ: 90°
R-values:
R R work R free
0.212 0.21 0.262
Expression system: Escherichia coli

Quick links

Citations

2 review citations

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