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Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with small molecule inhibitor

X-ray diffraction
1.95Å resolution
PDB entry 4wsq coloured by chain, front view.
PDB entry 4wsq coloured by chain, side view.
PDB entry 4wsq 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: AP2-associated protein kinase 1
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Multimeric state: monomeric
Accessible surface area: 14211.83 Å2
Buried surface area: 1378.26 Å2
Dissociation area: 99.78 Å2
Dissociation energy (ΔGdiss): -1.45 kcal/mol
Dissociation entropy (TΔSdiss): -0.24 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-173717
Assembly 2
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Assembly Name: AP2-associated protein kinase 1
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Multimeric state: monomeric
Accessible surface area: 13925.26 Å2
Buried surface area: 1151.31 Å2
Dissociation area: 446.81 Å2
Dissociation energy (ΔGdiss): 0.95 kcal/mol
Dissociation entropy (TΔSdiss): 5.02 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-173717

Macromolecules

AP2-associated protein kinase 1
Chains: A, B
Length: 317 amino acids
Theoretical weight: 35.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2M2I8 (Residues: 29-345; Coverage: 33%)
Gene names: AAK1, KIAA1048
Pfam: Protein kinase domain
InterPro:
CATH: Transferase(Phosphotransferase) domain 1
AP2-associated protein kinase 1 in PDB entry 4wsq, assembly 1, front view.
AP2-associated protein kinase 1 in PDB entry 4wsq, assembly 1, side view.
AP2-associated protein kinase 1 in PDB entry 4wsq, assembly 1, top view.
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