› 3ey4

X-ray diffraction
3Å resolution

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

Released:
DOI: 10.2210/pdb3ey4/pdb
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
Entry authors: Zhang JD, Jordan SR, Li V

Function and Biology Details

Reactions catalysed: 
An 11-beta-hydroxysteroid + NADP(+) = an 11-oxosteroid + NADPH
A 7-beta-hydroxysteroid + NADP(+) = a 7-oxosteroid + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151298 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
11-beta-hydroxysteroid dehydrogenase 1 Chains: A, B, C, D
Molecule details ›
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
Sequence domains: short chain dehydrogenase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NDP 4 x NDP
1 bound ligand:
Ligand 352 4 x 352
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P212121
Unit cell:
a: 49.043Å b: 138.482Å c: 155.336Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.219 0.219 0.319
Expression system: Alcaligenes hydrogenophilus

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