SKEMPI 2.0: An updated benchmark of changes in protein-protein binding energy, kinetics and thermodynamics upon mutation

Jankauskaite, J.; Jimenez-Garcia, B.; Dapkunas, J.; Fernandez-Recio, J.; Moal, I. H.

doi:10.1101/341735

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bioRxiv · 10.1101/341735

SKEMPI 2.0: An updated benchmark of changes in protein-protein binding energy, kinetics and thermodynamics upon mutation

Jankauskaite, J.·Jimenez-Garcia, B.·Dapkunas, J.·Fernandez-Recio, J.·Moal, I. H.

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Abstract

MotivationUnderstanding the relationship between the sequence, structure, binding energy, binding kinetics and binding thermodynamics of protein-protein interactions is crucial to understanding cellular signaling, the assembly and regulation of molecular complexes, the mechanisms through which mutations lead to disease, and protein engineering.\n\nResultsWe present SKEMPI 2.0, a major update to our database of binding free energy changes upon mutation for structurally resolved protein-protein interactions. This version now contains manually curated binding data for 7085 mutations, an increase of 133%, including changes in kinetics for 1844 mutations, enthalpy and entropy changes for 443 mutations, and 440 mutations which abolish detectable binding.\n\nAvailabilityThe database is available at https://life.bsc.es/pid/skempi2/

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Jankauskaite, J., Jimenez-Garcia, B., Dapkunas, J., Fernandez-Recio, J., Moal, I. H.. 2018-06-07. SKEMPI 2.0: An updated benchmark of changes in protein-protein binding energy, kinetics and thermodynamics upon mutation. https://doi.org/10.1101/341735

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