Matches in SemOpenAlex for { <https://semopenalex.org/work/W3204817198> ?p ?o ?g. }
- W3204817198 abstract "ABSTRACT Following decades of insights from structure–function studies, there is now a need to progress from a static to dynamic view of enzymes. Comparison of prior cryo X-ray structures suggested that deleterious effects from ketosteroid isomerase (KSI) mutants arise from misalignment of the oxyanion hole catalytic residue, Y16. However, multi-conformer models from room temperature X-ray diffraction revealed an ensemble of Y16 conformers indistinguishable from WT for Y32F/Y57F KSI and a distinct, non-native ensemble for Y16 in Y57F KSI. Functional analyses suggested rate effects arise from weakened hydrogen bonding, due to disruption of the Y16/Y57/Y32 hydrogen bond network, and repositioning of the general base. In general, catalytic changes can be deconvoluted into effects on the probability of occupying a state ( P -effects) and the reactivity of each state ( k -effects). Our results underscore the need for ensemble–function analysis to decipher enzyme function and ultimately manipulate their extraordinary capabilities." @default.
- W3204817198 created "2021-10-11" @default.
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- W3204817198 date "2021-09-30" @default.
- W3204817198 modified "2023-09-26" @default.
- W3204817198 title "Ensemble–function relationships to evaluate catalysis in the ketosteroid isomerase oxyanion hole" @default.
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- W3204817198 doi "https://doi.org/10.1101/2021.09.29.461692" @default.
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