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TitleCrystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
Journal, issue, pagesJ. Biol. Chem., Vol. 283, Page 16830-16839, Year 2008
Publish dateJan 3, 2008 (structure data deposition date)
AuthorsDi Costanzo, L. / Drury, J.E. / Penning, T.M. / Christianson, D.W.
External linksJ. Biol. Chem. / PubMed:18407998
MethodsX-ray diffraction
Resolution1.35 - 2.03 Å
Structure data

PDB-3bur:
Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and TESTOSTERONE. RESOLUTION: 1.62 A.
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-3buv:
Crystal structure of human Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and HEPES. Resolution: 1.35 A.
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-3bv7:
Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and glycerol. Resolution: 1.79 A.
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-3cmf:
Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and CORTISONE. Resolution 1.90 A.
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3cot:
Crystal structure of human liver delta(4)-3-ketosteroid 5beta-reductase (akr1d1) in complex with progesterone and nadp. Resolution: 2.03 A.
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-TES:
TESTOSTERONE / hormone*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-PDN:
17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE / medication*YM

ChemComp-STR:
PROGESTERONE / hormone*YM

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / 5BETA-REDUCTASE; CATALYTIC TETRAD; TESTOSTERONE; NADP / Bile acid catabolism / Disease mutation / Lipid metabolism / Steroid metabolism / 5-beta-reductase; catalytic tetrad; E120; HEPES; NADP / 5-beta-reductase; glycerol; AKR1A1 / NADP / C-C double bond reduction / CORTISONE / AKR1D1 / steroid / Cytoplasm / steroid C-C double bond reduction / 5beta reductase / E120

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