It started off as a Cys, how did it end up like this? Identifying the extent of unmodelled oxidatively modified cysteines within the Protein Data Bank

Foster, S.P.; Warren, A.J.; Siebert, C.A.; Basran, J.; Moody, P.C.E.

doi:10.1107/S2059798326003943

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 3
Kernel density estimate of B_net-percentile values for structures predicted to (red) contain (n = 55 103) or (blue) not contain (n = 1 043 150) cysteines which are predicted as oxidatively damaged. Although there is a statistically significant difference in the distributions of B_net-percentile, the distributions overlap considerably such that there is negligible effect size, as can be seen in the Cliff's δ value. Therefore, B_net-percentile cannot be accurately used to predict whether a structure contains an unmodelled oxidized cysteine.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 82| Part 7| July 2026|

https://doi.org/10.1107/S2059798326003943

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