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Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model

X-ray diffraction
3Å resolution
PDB entry 3ey4 coloured by chain, front view.
PDB entry 3ey4 coloured by chain, side view.
PDB entry 3ey4 coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: 11-beta-hydroxysteroid dehydrogenase 1
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Multimeric state: homo dimer
Accessible surface area: 20162.21 Å2
Buried surface area: 7064.85 Å2
Dissociation area: 2,262.48 Å2
Dissociation energy (ΔGdiss): 40.3 kcal/mol
Dissociation entropy (TΔSdiss): 13.49 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-151298
Assembly 2
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Assembly Name: 11-beta-hydroxysteroid dehydrogenase 1
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Multimeric state: homo dimer
Accessible surface area: 20173.38 Å2
Buried surface area: 7222.36 Å2
Dissociation area: 2,328.37 Å2
Dissociation energy (ΔGdiss): 43.05 kcal/mol
Dissociation entropy (TΔSdiss): 13.52 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-151298

Macromolecules

11-beta-hydroxysteroid dehydrogenase 1
Chains: A, B, C, D
Length: 275 amino acids
Theoretical weight: 30.49 KDa
Source organism: Homo sapiens
Expression system: Alcaligenes hydrogenophilus
UniProt:
  • Canonical: P28845 (Residues: 25-292; Coverage: 92%)
Gene names: HSD11, HSD11B1, HSD11L, SDR26C1
Pfam: short chain dehydrogenase
InterPro:
CATH: NAD(P)-binding Rossmann-like Domain
11-beta-hydroxysteroid dehydrogenase 1 in PDB entry 3ey4, assembly 1, front view.
11-beta-hydroxysteroid dehydrogenase 1 in PDB entry 3ey4, assembly 1, side view.
11-beta-hydroxysteroid dehydrogenase 1 in PDB entry 3ey4, assembly 1, top view.
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