Structure analysis

JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE

X-ray diffraction
2.35Å resolution
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: monomeric
Accessible surface area: 15600 Å2
Buried surface area: 750 Å2
Dissociation area: 400 Å2
Dissociation energy (ΔGdiss): -5 kcal/mol
Dissociation entropy (TΔSdiss): 4 kcal/mol
Interface energy (ΔGint): 2 kcal/mol
Symmetry number: 1
Assembly 2
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Multimeric state: monomeric
Accessible surface area: 13900 Å2
Buried surface area: 750 Å2
Dissociation area: 350 Å2
Dissociation energy (ΔGdiss): -5 kcal/mol
Dissociation entropy (TΔSdiss): 4 kcal/mol
Interface energy (ΔGint): 2 kcal/mol
Symmetry number: 1

Macromolecules

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