Structure analysis

Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors

X-ray diffraction
2.6Å resolution
Source organism: Homo sapiens
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero dimer
Accessible surface area: 15208.73 Å2
Buried surface area: 1296.52 Å2
Dissociation area: 648.26 Å2
Dissociation energy (ΔGdiss): 2.37 kcal/mol
Dissociation entropy (TΔSdiss): 7.61 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-152082
Assembly 2
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Multimeric state: hetero dimer
Accessible surface area: 15493.05 Å2
Buried surface area: 1276.91 Å2
Dissociation area: 638.45 Å2
Dissociation energy (ΔGdiss): 0.11 kcal/mol
Dissociation entropy (TΔSdiss): 7.62 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-152082

Macromolecules

Chains: A, B
Length: 341 amino acids
Theoretical weight: 39.47 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P31749 (Residues: 144-480; Coverage: 70%)
Gene names: AKT1, PKB, RAC
Pfam:
InterPro:
CATH:

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Chains: C, D
Length: 10 amino acids
Theoretical weight: 1.12 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P49841 (Residues: 3-12; Coverage: 2%)
Gene name: GSK3B

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