› 3km0

X-ray diffraction
2.3Å resolution

17betaHSD1 in complex with 3beta-diol

Released:
DOI: 10.2210/pdb3km0/pdb
PDB entry 3km0 coloured by chain, front view.
PDB entry 3km0 coloured by chain, side view.
PDB entry 3km0 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Mazumdar M, Lin S-X

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: 327 amino acids
Theoretical weight: 34.89 KDa
Source organism: Homo sapiens
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 2 x NAP
1 bound ligand:
Ligand AOM 2 x AOM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 154.42Å b: 43.12Å c: 121.1Å
α: 90° β: 128.59° γ: 90°
R-values:
R R work R free
0.237 0.233 0.312

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