PDBe 4bb6

X-ray diffraction
2.55Å resolution

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

Released:

Function and Biology Details

Reaction catalysed:
An 11-beta-hydroxysteroid + NADP(+) = an 11-oxosteroid + NADPH
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Corticosteroid 11-beta-dehydrogenase isozyme 1 Chains: A, B
Molecule details ›
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
Sequence domains: short chain dehydrogenase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF
Spacegroup: P3121
Unit cell:
a: 108.651Å b: 108.651Å c: 135.771Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.23 0.23 0.276
Expression system: Escherichia coli