› 4isf

X-ray diffraction
2.09Å resolution

Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide

Released:
DOI: 10.2210/pdb4isf/pdb
PDB entry 4isf coloured by chain, front view.
PDB entry 4isf coloured by chain, side view.
PDB entry 4isf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, synthesis and SAR of novel glucokinase activators.
Cheruvallath ZS, Gwaltney SL, Sabat M, Tang M, Feng J, Wang H, Miura J, Guntupalli P, Jennings A, Hosfield D, Lee B, Wu Y
Bioorg Med Chem Lett 23 2166-71 (2013)
PMID: 23434031

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 DH5[alpha]
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 1FX 1 x 1FX
Ligand IOD 1 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: 49.381Å b: 77.578Å c: 119.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.198 0.258
Expression system: Escherichia coli DH5[alpha]

Quick links

Citations

1 review citation

A report of 2 new cases of MODY2 and review of the literature: implications in the search for type 2 diabetes drugs.
Shammas et al. (2013)
7 other articles

1 mention without citation

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