1e3w

X-ray diffraction
2Å resolution

Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH and 3-keto butyrate

Released:

Function and Biology Details

Reactions catalysed:
3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholanate + NAD(+) = 3-alpha,12-alpha-dihydroxy-7-oxo-5-beta-cholanate + NADH
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA + NAD(+) = 2-methylacetoacetyl-CoA + NADH
Testosterone + NAD(+) = androstenedione + NADH
(S)-3-hydroxyacyl-CoA + NAD(+) = 3-oxoacyl-CoA + NADH
Androstan-3-alpha,17-beta-diol + NAD(+) = 17-beta-hydroxyandrostan-3-one + NADH
17-beta-estradiol + NAD(P)(+) = estrone + NAD(P)H

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-130696 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
3-hydroxyacyl-CoA dehydrogenase type-2 Chain: A
Molecule details ›
Chain: A
Length: 261 amino acids
Theoretical weight: 27.24 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O70351 (Residues: 1-261; Coverage: 100%)
Gene names: Erab, Hadh2, Hsd17b10
Sequence domains: short chain dehydrogenase
Structure domains: NAD(P)-binding Rossmann-like Domain
3-hydroxyacyl-CoA dehydrogenase type-2 Chains: B, C, D
Molecule details ›
Chains: B, C, D
Length: 261 amino acids
Theoretical weight: 27.27 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O70351 (Residues: 1-261; Coverage: 100%)
Gene names: Erab, Hadh2, Hsd17b10
Sequence domains: short chain dehydrogenase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 4 x NAD
3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: P1
Unit cell:
a: 57.603Å b: 67.426Å c: 67.5Å
α: 65.22° β: 73.27° γ: 75.67°
R-values:
R R work R free
0.189 0.189 0.226
Expression system: Escherichia coli BL21