› 1i5r

X-ray diffraction
1.6Å resolution

TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX

Released:
DOI: 10.2210/pdb1i5r/pdb
PDB entry 1i5r coloured by chain, front view.
PDB entry 1i5r coloured by chain, side view.
PDB entry 1i5r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors: estradiol-adenosine hybrids with high affinity.
Qiu W, Campbell RL, Gangloff A, Dupuis P, Boivin RP, Tremblay MR, Poirier D, Lin SX
FASEB J 16 1829-31 (2002)
PMID: 12223444

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 domain:

Structure analysis Details

Assemblies composition:
homo dimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146839 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
17-beta-hydroxysteroid dehydrogenase type 1 Chain: A
Molecule details ›
Chain: A
Length: 327 amino acids
Theoretical weight: 34.89 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

2 bound ligands:
Ligand HYC 1 x HYC
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X8C
Spacegroup: C2
Unit cell:
a: 119.272Å b: 42.706Å c: 58.732Å
α: 90° β: 99.16° γ: 90°
R-values:
R R work R free
0.185 0.185 0.205
Expression system: Spodoptera frugiperda

Quick links

Citations

10 review citations

Integrated view on 17beta-hydroxysteroid dehydrogenases.
Moeller et al. (2009)
9 more

12 mentions without citation

Computational methods in drug discovery.
Sliwoski et al. (2014)
11 more