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Structure of human Ketohexokinase complexed with hits from fragment screening

X-ray diffraction
2.58Å resolution
PDB entry 5wbr coloured by chain, front view.
PDB entry 5wbr coloured by chain, side view.
PDB entry 5wbr coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Ketohexokinase
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Multimeric state: homo dimer
Accessible surface area: 24318.0 Å2
Buried surface area: 5204.23 Å2
Dissociation area: 1,763.42 Å2
Dissociation energy (ΔGdiss): 21.41 kcal/mol
Dissociation entropy (TΔSdiss): 13.54 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-156119

Macromolecules

Ketohexokinase
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
Pfam: pfkB family carbohydrate kinase
InterPro:
CATH: UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase
Ketohexokinase in PDB entry 5wbr, assembly 1, front view.
Ketohexokinase in PDB entry 5wbr, assembly 1, side view.
Ketohexokinase in PDB entry 5wbr, assembly 1, top view.
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