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Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors

X-ray diffraction
2.55Å resolution
PDB entry 4bb6 coloured by chain, front view.
PDB entry 4bb6 coloured by chain, side view.
PDB entry 4bb6 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: 21105.48 Å2
Buried surface area: 7644.84 Å2
Dissociation area: 2,428.91 Å2
Dissociation energy (ΔGdiss): 39.88 kcal/mol
Dissociation entropy (TΔSdiss): 13.61 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-151298

Macromolecules

11-beta-hydroxysteroid dehydrogenase 1
Chains: A, B
Length: 292 amino acids
Theoretical weight: 32.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P28845 (Residues: 1-292; Coverage: 100%)
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 4bb6, assembly 1, front view.
11-beta-hydroxysteroid dehydrogenase 1 in PDB entry 4bb6, assembly 1, side view.
11-beta-hydroxysteroid dehydrogenase 1 in PDB entry 4bb6, assembly 1, top view.
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