› 5v4x

X-ray diffraction
2.08Å resolution

Human glucokinase in complex with novel pyrazole activator.

Released:
DOI: 10.2210/pdb5v4x/pdb
PDB entry 5v4x coloured by chain, front view.
PDB entry 5v4x coloured by chain, side view.
PDB entry 5v4x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Cheruvallath ZS, Gwaltney SL, Sabat M, Tang M, Wang H, Jennings A, Hosfield D, Lee B, Wu Y, Halkowycz P, Grimshaw CE
Bioorg Med Chem Lett 27 2678-2682 (2017)
PMID: 28512030

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: 458 amino acids
Theoretical weight: 51.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P35557 (Residues: 16-465; Coverage: 97%)
Gene name: GCK
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand GLC 1 x GLC
Ligand 8WJ 1 x 8WJ
Ligand IOD 3 x IOD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P212121
Unit cell:
a: 48.874Å b: 77.855Å c: 119.927Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.195 0.25
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Recent Advances in Indazole-Containing Derivatives: Synthesis and Biological Perspectives.
Zhang et al. (2018)
1 more