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Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine

X-ray diffraction
2.35Å resolution
PDB entry 4ijv coloured by chain, front view.
PDB entry 4ijv coloured by chain, side view.
PDB entry 4ijv 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: 21650.98 Å2
Buried surface area: 8453.25 Å2
Dissociation area: 2,929.61 Å2
Dissociation energy (ΔGdiss): 52.85 kcal/mol
Dissociation entropy (TΔSdiss): 13.85 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: 21461.72 Å2
Buried surface area: 8122.43 Å2
Dissociation area: 2,769.62 Å2
Dissociation energy (ΔGdiss): 47.48 kcal/mol
Dissociation entropy (TΔSdiss): 13.75 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-151298

Macromolecules

11-beta-hydroxysteroid dehydrogenase 1
Chains: A, B, D, E
Length: 286 amino acids
Theoretical weight: 31.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P28845 (Residues: 10-10, 24-292; Coverage: 93%)
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 4ijv, assembly 1, front view.
11-beta-hydroxysteroid dehydrogenase 1 in PDB entry 4ijv, assembly 1, side view.
11-beta-hydroxysteroid dehydrogenase 1 in PDB entry 4ijv, assembly 1, top view.
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