› 6e0i

X-ray diffraction
1.9Å resolution

Crystal structure of Glucokinase in complex with compound 72

Released:
DOI: 10.2210/pdb6e0i/pdb
PDB entry 6e0i coloured by chain, front view.
PDB entry 6e0i coloured by chain, side view.
PDB entry 6e0i coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator.
Hinklin RJ, Baer BR, Boyd SA, Chicarelli MD, Condroski KR, DeWolf WE, Fischer J, Frank M, Hingorani GP, Lee PA, Neitzel NA, Pratt SA, Singh A, Sullivan FX, Turner T, Voegtli WC, Wallace EM, Williams L, Aicher TD
Bioorg Med Chem 28 115232 (2020)
PMID: 31818630

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: 51.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P35557 (Residues: 1-458; Coverage: 99%)
Gene name: GCK
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand GLC 1 x GLC
Ligand DMS 1 x DMS
Ligand HKG 1 x HKG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E
Spacegroup: P212121
Unit cell:
a: 66.45Å b: 85.34Å c: 85.86Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.191 0.229
Expression system: Escherichia coli

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Citations

2 citation in other articles

Organomediated cleavage of benzoyl group enables an efficient synthesis of 1-(6-nitropyridin-2-yl)thiourea and its application for developing 18F-labeled PET tracers.
Wang et al. (2022)
1 more