PDBe 3r6i

X-ray diffraction
1.95Å resolution

AKR1C3 complex with meclofenamic acid

Released:

Function and Biology Details

Reactions catalysed:
A 3-alpha-hydroxysteroid + NAD(P)(+) = a 3-oxosteroid + NAD(P)H
Testosterone + NAD(+) = androstenedione + NADH
Indan-1-ol + NAD(P)(+) = indanone + NAD(P)H
Trans-1,2-dihydrobenzene-1,2-diol + NADP(+) = catechol + NADPH
(5Z,13E)-(15S)-9-alpha,11-alpha,15-trihydroxyprosta-5,13-dienoate + NADP(+) = (5Z,13E)-(15S)-9-alpha,15-dihydroxy-11-oxoprosta-5,13-dienoate + NADPH
Testosterone + NADP(+) = androst-4-ene-3,17-dione + NADPH
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member C3 Chain: A
Molecule details ›
Chain: A
Length: 331 amino acids
Theoretical weight: 37.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P42330 (Residues: 1-323; Coverage: 100%)
Gene names: AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P212121
Unit cell:
a: 58.318Å b: 64.788Å c: 96.28Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.175 0.206
Expression system: Escherichia coli BL21(DE3)