› 6zr6

X-ray diffraction
1.5Å resolution

17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with non-steroidal inhibitor

Released:
DOI: 10.2210/pdb6zr6/pdb
PDB entry 6zr6 coloured by chain, front view.
PDB entry 6zr6 coloured by chain, side view.
PDB entry 6zr6 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Badran MJ, Heine A, Klebe G

Function and Biology Details

Reaction catalysed: 
17-beta-estradiol + NAD(P)(+) = estrone + NAD(P)H
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189654 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
17-beta-hydroxysteroid dehydrogenase 14 Chain: A
Molecule details ›
Chain: A
Length: 270 amino acids
Theoretical weight: 28.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: Q9BPX1 (Residues: 1-270; Coverage: 100%)
Gene names: DHRS10, HSD17B14, SDR3, SDR47C1, UNQ502/PRO474
Sequence domains: Enoyl-(Acyl carrier protein) reductase

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD
3 bound ligands:
Ligand BGC 1 x BGC
Ligand NA 1 x NA
Ligand F45 1 x F45
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: I422
Unit cell:
a: 91.102Å b: 91.102Å c: 132.098Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.153 0.152 0.18
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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