Structural and biochemical characterization of the novel serpin Iripin-5 from Ixodes ricinus

Kascakova, B.; Kotal, J.; Martins, L.A.; Berankova, Z.; Langhansova, H.; Calvo, E.; Crossley, J.A.; Havlickova, P.; Dycka, F.; Prudnikova, T.; Kuty, M.; Kotsyfakis, M.; Chmelar, J.; Kuta Smatanova, I.

doi:10.1107/S2059798321007920

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 8
Results of MD simulation of the Michaelis complex. The structures are shown at the 100 ns point of simulation for each triplicate of the chosen target protease. The Iripin-5 (magenta) structures are aligned to show the RCL dynamics. Triplicates are distinguished by different colours for the target protease: neutrophil elastase, blue, green and yellow; proteinase 3, grey, orange and yellow. The Iripin-5 RCL is also distinguished in a corresponding colour to the interacting protease. A detailed view of the Michaelis complex interfaces is presented in Supplementary Fig. S6.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 77| Part 9| September 2021| Pages 1183-1196

https://doi.org/10.1107/S2059798321007920

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