› 3uzx

X-ray diffraction
1.64Å resolution

Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and epiandrosterone

Released:
DOI: 10.2210/pdb3uzx/pdb
PDB entry 3uzx coloured by chain, front view.
PDB entry 3uzx coloured by chain, side view.
PDB entry 3uzx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Conversion of human steroid 5β-reductase (AKR1D1) into 3β-hydroxysteroid dehydrogenase by single point mutation E120H: example of perfect enzyme engineering.
Chen M, Drury JE, Christianson DW, Penning TM
J Biol Chem 287 16609-22 (2012)
PMID: 22437839

Function and Biology Details

Reaction catalysed: 
17,21-dihydroxy-5-beta-pregnane-3,11,20-trione + NADP(+) = cortisone + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156430 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member D1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 346 amino acids
Theoretical weight: 39.61 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51857 (Residues: 1-326; Coverage: 100%)
Gene names: AKR1D1, SRD5B1
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
3 bound ligands:
Ligand AOM 1 x AOM
Ligand CL 4 x CL
Ligand AOX 1 x AOX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P212121
Unit cell:
a: 50.03Å b: 109.712Å c: 129.337Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.184 0.219
Expression system: Escherichia coli

Quick links

Citations

8 citation in other articles

Boosting the Catalytic Performance of Metal-Organic Frameworks for Steroid Transformations by Confinement within a Mesoporous Scaffold.
Cirujano et al. (2017)
7 more

2 mentions without citation

5β-Reduced steroids and human Δ(4)-3-ketosteroid 5β-reductase (AKR1D1).
Chen et al. (2014)
1 more