› 3d5q

X-ray diffraction
2.55Å resolution

Crystal Structure of 11b-HSD1 in Complex with Triazole Inhibitor

Released:
DOI: 10.2210/pdb3d5q/pdb
PDB entry 3d5q coloured by chain, front view.
PDB entry 3d5q coloured by chain, side view.
PDB entry 3d5q coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1.
Tu H, Powers JP, Liu J, Ursu S, Sudom A, Yan X, Xu H, Meininger D, Degraffenreid M, He X, Jaen JC, Sun D, Labelle M, Yamamoto H, Shan B, Walker NP, Wang Z
Bioorg Med Chem 16 8922-31 (2008)
PMID: 18789704

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 domain:

Structure analysis Details

Assemblies composition:
homo tetramer
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: 272 amino acids
Theoretical weight: 29.98 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 NAP 4 x NAP
1 bound ligand:
Ligand T30 4 x T30
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P21
Unit cell:
a: 56.675Å b: 153.319Å c: 73.601Å
α: 90° β: 92.2° γ: 90°
R-values:
R R work R free
0.232 0.23 0.265
Expression system: Escherichia coli

Quick links

Citations

5 review citations

11Beta-hydroxysteroid dehydrogenase type 1 and its role in the hypothalamus-pituitary-adrenal axis, metabolic syndrome, and inflammation.
Cooper et al. (2009)
4 more

4 mentions without citation

Crystal structures of 11β-hydroxysteroid dehydrogenase type 1 and their use in drug discovery.
Thomas et al. (2011)
3 more