4fj1

X-ray diffraction
2.3Å resolution

Crystal Structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and genistein

Released:

Function and Biology Details

Reaction catalysed:
17-beta-estradiol + NAD(P)(+) = estrone + NAD(P)H
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
PDBe Complex ID:
PDB-CPX-131691 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
17beta-hydroxysteroid dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 270 amino acids
Theoretical weight: 28.94 KDa
Source organism: Curvularia lunata
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O93874 (Residues: 1-270; Coverage: 100%)
Gene name: 17HSDcl
Sequence domains: Enoyl-(Acyl carrier protein) reductase
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: ELETTRA BEAMLINE 5.2R
Spacegroup: P21
Unit cell:
a: 62.37Å b: 113.89Å c: 69.4Å
α: 90° β: 102.73° γ: 90°
R-values:
R R work R free
0.161 0.159 0.199
Expression system: Escherichia coli BL21