PDBe 4k1l

X-ray diffraction
1.96Å resolution

4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 beta-HSD1 inhibitors for the treatment of diabetes

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 tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Corticosteroid 11-beta-dehydrogenase isozyme 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 286 amino acids
Theoretical weight: 31.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P28845 (Residues: 24-292; 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:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P21
Unit cell:
a: 57.361Å b: 150.941Å c: 74.169Å
α: 90° β: 93.79° γ: 90°
R-values:
R R work R free
0.169 0.167 0.202
Expression system: Escherichia coli