› 3nbv

X-ray diffraction
2.3Å resolution

X-ray Structure of Ketohexokinase in complex with AMP-PNP and fructose

Released:
DOI: 10.2210/pdb3nbv/pdb
PDB entry 3nbv coloured by chain, front view.
PDB entry 3nbv coloured by chain, side view.
PDB entry 3nbv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
Gibbs AC, Abad MC, Zhang X, Tounge BA, Lewandowski FA, Struble GT, Sun W, Sui Z, Kuo LC
J Med Chem 53 7979-91 (2010)
PMID: 21033679

Function and Biology Details

Reaction catalysed: 
ATP + D-fructose = ADP + D-fructose 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-156119 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ketohexokinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 313 amino acids
Theoretical weight: 34.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P50053 (Residues: 5-298; Coverage: 99%)
Gene name: KHK
Sequence domains: pfkB family carbohydrate kinase
Structure domains: UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase

Ligands and Environments

3 bound ligands:
Ligand ANP 2 x ANP
Ligand FRU 1 x FRU
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 82.845Å b: 86.035Å c: 136.961Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.206 0.237
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Protein crystallography and fragment-based drug design.
Caliandro et al. (2013)
5 other articles

2 mentions without citation

Comparative proteomics reveals a significant bias toward alternative protein isoforms with conserved structure and function.
Ezkurdia et al. (2012)
1 more