› 4mle

X-ray diffraction
2.6Å resolution

Human Glucokinase in Complex with Novel Amino Thiazole Activator

Released:
DOI: 10.2210/pdb4mle/pdb
PDB entry 4mle coloured by chain, front view.
PDB entry 4mle coloured by chain, side view.
PDB entry 4mle coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of a new class of glucokinase activators through structure-based design.
Hinklin RJ, Boyd SA, Chicarelli MJ, Condroski KR, DeWolf WE, Lee PA, Lee W, Singh A, Thomas L, Voegtli WC, Williams L, Aicher TD
J Med Chem 56 7669-78 (2013)
PMID: 24015910

Function and Biology Details

Reaction catalysed: 
ATP + D-hexose = ADP + D-hexose 6-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152941 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Hexokinase-4 Chain: A
Molecule details ›
Chain: A
Length: 455 amino acids
Theoretical weight: 51.01 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P35557 (Residues: 16-465; Coverage: 97%)
Gene name: GCK
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand GLC 1 x GLC
Ligand VO1 1 x VO1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P6522
Unit cell:
a: 79.32Å b: 79.32Å c: 320.21Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.242 0.242 0.289
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Investigational insulin secretagogues for type 2 diabetes.
Scheen AJ. (2016)
2 more

2 mentions without citation

Strain analysis of protein structures and low dimensionality of mechanical allosteric couplings.
Mitchell et al. (2016)
1 more