› 7rcl

X-ray diffraction
2.4Å resolution

Crystal Structure of ADP-bound Galactokinase

Released:
DOI: 10.2210/pdb7rcl/pdb
PDB entry 7rcl coloured by chain, front view.
PDB entry 7rcl coloured by chain, side view.
PDB entry 7rcl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
Liu L, Tang M, Pragani R, Whitby FG, Zhang YQ, Balakrishnan B, Fang Y, Karavadhi S, Tao D, LeClair CA, Hall MD, Marugan JJ, Boxer M, Shen M, Hill CP, Lai K, Patnaik S
J Med Chem 64 13551-13571 (2021)
PMID: 34491744

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156361 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Galactokinase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 392 amino acids
Theoretical weight: 42.2 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51570 (Residues: 1-392; Coverage: 100%)
Gene names: GALK, GALK1
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand GLA 4 x GLA
Ligand ADP 4 x ADP
Ligand PO4 11 x PO4
Ligand MG 4 x MG
Ligand NA 4 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 96.901Å b: 114.126Å c: 206.705Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.173 0.228
Expression system: Escherichia coli

Quick links

Citations

1 mention without citation

Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
Liu et al. (2021)