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CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE

X-ray diffraction
2.4Å resolution
PDB entry 7t79 coloured by chain, front view.
PDB entry 7t79 coloured by chain, side view.
PDB entry 7t79 coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Hexokinase-4
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Multimeric state: monomeric
Accessible surface area: 17249.57 Å2
Buried surface area: 380.09 Å2
Dissociation area: 190.05 Å2
Dissociation energy (ΔGdiss): -0.87 kcal/mol
Dissociation entropy (TΔSdiss): 2.54 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-152941
Assembly 2
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Assembly Name: Hexokinase-4
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Multimeric state: monomeric
Accessible surface area: 16714.63 Å2
Buried surface area: 384.13 Å2
Dissociation area: 192.07 Å2
Dissociation energy (ΔGdiss): -1.46 kcal/mol
Dissociation entropy (TΔSdiss): 2.53 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-152941

Macromolecules

Hexokinase-4
Chains: A, B
Length: 466 amino acids
Theoretical weight: 52.2 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P35557 (Residues: 16-465; Coverage: 97%)
  • Best match: P35557-2 (Residues: 1-466)
Gene name: GCK
Pfam:
InterPro:
Hexokinase-4 in PDB entry 7t79, assembly 1, front view.
Hexokinase-4 in PDB entry 7t79, assembly 1, side view.
Hexokinase-4 in PDB entry 7t79, assembly 1, top view.
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