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Structure paper

TitleSubstrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Journal, issue, pagesCell Chem Biol, Vol. 23, Page 1091-1097, Year 2016
Publish dateMay 24, 2016 (structure data deposition date)
AuthorsSchafer, M. / Stevenson, C.E. / Wilkinson, B. / Lawson, D.M. / Buttner, M.J.
External linksCell Chem Biol / PubMed:27617849
MethodsX-ray diffraction
Resolution1.2 - 1.95 Å
Structure data

PDB-5l3z:
polyketide ketoreductase SimC7 - binary complex with NADP+
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5l40:
polyketide ketoreductase SimC7 - apo crystal form 1
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-5l45:
polyketide ketoreductase SimC7 - apo crystal form 2
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5l4l:
polyketide ketoreductase SimC7 - ternary complex with NADP+ and 7-oxo-SD8
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-GOL:
GLYCEROL

ChemComp-7OX:
7-oxo-simocyclinone D8

Source
  • streptomyces antibioticus (bacteria)
KeywordsOXIDOREDUCTASE / short-chain dehydrogenase/reductase / Ketoreductase / Simocyclinone / DNA gyrase inhibitor / HYDROLASE

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