1fdu

X-ray diffraction
2.7Å resolution

HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 MUTANT H221L COMPLEXED WITH ESTRADIOL AND NADP+

Released:
Source organism: Homo sapiens

Function and Biology Details

Reactions catalysed:
Testosterone + NAD(P)(+) = androst-4-ene-3,17-dione + NAD(P)H
17-beta-estradiol + NAD(P)(+) = estrone + NAD(P)H
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
PDBe Complex ID:
PDB-CPX-146840 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
17-beta-hydroxysteroid dehydrogenase type 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 327 amino acids
Theoretical weight: 34.95 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P14061 (Residues: 2-328; Coverage: 100%)
Gene names: E17KSR, EDH17B1, EDH17B2, EDHB17, HSD17B1, SDR28C1
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: ESRF BEAMLINE BM02
Spacegroup: P21
Unit cell:
a: 115.8Å b: 78.78Å c: 121.19Å
α: 90° β: 92.91° γ: 90°
R-values:
R R work R free
0.22 0.22 0.295
Expression system: Spodoptera frugiperda