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DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS

X-ray diffraction
2.1Å resolution
PDB entry 5hkm coloured by chain, front view.
PDB entry 5hkm coloured by chain, side view.
PDB entry 5hkm 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: 3-phosphoinositide-dependent protein kinase 1
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Multimeric state: monomeric
Accessible surface area: 13382.03 Å2
Buried surface area: 243.55 Å2
Dissociation area: 47.95 Å2
Dissociation energy (ΔGdiss): 5.67 kcal/mol
Dissociation entropy (TΔSdiss): 0.58 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-127511

Macromolecules

3-phosphoinositide-dependent protein kinase 1
Chain: A
Length: 309 amino acids
Theoretical weight: 35.43 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O15530 (Residues: 51-359; Coverage: 56%)
Gene names: PDK1, PDPK1
Pfam: Protein kinase domain
InterPro:
CATH:
3-phosphoinositide-dependent protein kinase 1 in PDB entry 5hkm, assembly 1, front view.
3-phosphoinositide-dependent protein kinase 1 in PDB entry 5hkm, assembly 1, side view.
3-phosphoinositide-dependent protein kinase 1 in PDB entry 5hkm, assembly 1, top view.
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