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TitleJoint neutron/X-ray crystal structure of a mechanistically relevant complex of perdeuterated urate oxidase and simulations provide insight into the hydration step of catalysis.
Journal, issue, pagesIucrj, Vol. 8, Page 46-59, Year 2021
Publish dateAug 9, 2020 (structure data deposition date)
AuthorsMcGregor, L. / Foldes, T. / Bui, S. / Moulin, M. / Coquelle, N. / Blakeley, M.P. / Rosta, E. / Steiner, R.A.
External linksIucrj / PubMed:33520242
MethodsX-ray diffraction / neutron diffraction
Resolution1.33 Å
Structure data

PDB-7a0l:
Joint neutron/X-ray room temperature structure of perdeuterated Aspergillus flavus urate oxidase in complex with the 8-azaxanthine inhibitor and catalytic water bound in the peroxo hole
Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.33 Å

Chemicals

ChemComp-AZA:
8-AZAXANTHINE

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • aspergillus flavus (mold)
KeywordsOXIDOREDUCTASE / COFACTOR-FREE OXIDASE / INHIBITOR / CATALYTIC WATER / DIOXYGEN BINDING

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