› 7bw1

X-ray diffraction
2.8Å resolution

Crystal structure of Steroid 5-alpha-reductase 2 in complex with Finasteride

Released:
DOI: 10.2210/pdb7bw1/pdb
PDB entry 7bw1 coloured by chain, front view.
PDB entry 7bw1 coloured by chain, side view.
PDB entry 7bw1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure of human steroid 5α-reductase 2 with anti-androgen drug finasteride.
Xiao Q, Wang L, Supekar S, Shen T, Liu H, Ye F, Huang J, Fan H, Wei Z, Zhang C
Res Sq (2020)
PMID: 32702725

Function and Biology Details

Reaction catalysed: 
A 3-oxo-5-alpha-steroid + NADP(+) = a 3-oxo-Delta(4)-steroid + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151926 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-oxo-5-alpha-steroid 4-dehydrogenase 2 Chain: A
Molecule details ›
Chain: A
Length: 258 amino acids
Theoretical weight: 28.69 KDa
Source organism: Homo sapiens
Expression system: Baculovirus expression vector pFastBac1-HM
UniProt:
  • Canonical: P31213 (Residues: 1-254; Coverage: 100%)
Gene name: SRD5A2
Sequence domains: 3-oxo-5-alpha-steroid 4-dehydrogenase

Ligands and Environments

3 bound ligands:
Ligand OLC 1 x OLC
Ligand NDX 1 x NDX
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P622
Unit cell:
a: 107.449Å b: 107.449Å c: 103.372Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.241 0.239 0.265
Expression system: Baculovirus expression vector pFastBac1-HM

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Citations

14 mentions without citation

COVID-19 therapeutics: Clinical application of repurposed drugs and futuristic strategies for target-based drug discovery.
Kumar et al. (2023)
13 more