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TitleEnhancing the solubility and elucidating the mechanisms of the highly stereoselective oxidoreductase MrADH: an insight from molecular dynamics simulations
Journal, issue, pagesTo Be Published
Publish dateApr 19, 2024 (structure data deposition date)
AuthorsXue, J.Y. / Xu, G.C. / Ni, Y.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.59 - 2.87 Å
Structure data

PDB-8z6y:
Medium-chain dehydrogenase/reductase MrADH mutant-V164K&V221A&H333K
Method: X-RAY DIFFRACTION / Resolution: 2.87 Å

PDB-8z6z:
Medium-chain dehydrogenase/reductase MrADH-WT
Method: X-RAY DIFFRACTION / Resolution: 2.59 Å

Chemicals

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

Source
  • modestobacter roseus (bacteria)
KeywordsOXIDOREDUCTASE / Medium-chain dehydrogenase/reductase / ketone / secondary alcohol

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