› 6dtp

X-ray diffraction
2Å resolution

CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH EM139

Released:
DOI: 10.2210/pdb6dtp/pdb
PDB entry 6dtp coloured by chain, front view.
PDB entry 6dtp coloured by chain, side view.
PDB entry 6dtp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH Dual-Site Inhibitor EM-139
Li T, Zhu D, Labrie F, Lin SX
Health (2018)

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:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146840 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
17-beta-hydroxysteroid dehydrogenase type 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 328 amino acids
Theoretical weight: 34.99 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P14061 (Residues: 1-328; 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

5 bound ligands:
Ligand GOL 7 x GOL
Ligand EDO 4 x EDO
Ligand EM9 1 x EM9
Ligand PGE 1 x PGE
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Unit cell:
a: 120.761Å b: 42.188Å c: 122.671Å
α: 90° β: 102.07° γ: 90°
R-values:
R R work R free
0.193 0.191 0.234
Expression system: Spodoptera frugiperda

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