PDBe 3tfq

X-ray diffraction
1.8Å resolution

Crystal structure of 11b-hsd1 double mutant (l262r, f278e) complexed with 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE

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, D, E
Molecule details ›
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: 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
2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 74.5Å b: 94Å c: 167.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.165 0.193
Expression system: Escherichia coli BL21(DE3)