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TitleRational Design of an Artificial Ethylbenzene Hydroxylase Using Molecular Dynamics Simulation to Enhance the Enantioselectivity
Journal, issue, pagesTo Be Published
Publish dateAug 15, 2023 (structure data deposition date)
AuthorsOohora, K. / Kagawa, Y. / Nishiura, T. / Mizohata, E. / Schwaneberg, U. / Hayashi, T.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.9 - 2.37 Å
Structure data

PDB-8kfh:
Crystal structure of sperm whale myoglobin reconstituted with manganese porphycene
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-8kfi:
Crystal structure of sperm whale myoglobin (F43A/H64I mutant) reconstituted with manganese porphycene
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

PDB-8kfj:
Crystal structure of sperm whale myoglobin (F46L/H64A mutant) reconstituted with manganese porphycene
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-HNN:
PORPHYCENE CONTAINING MN

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

Source
  • physeter catodon (sperm whale)
KeywordsOXYGEN STORAGE / globin fold / oxygen transport / muscles

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