Additional file 1 of Dynamics and structural changes of calmodulin upon interaction with the antagonist calmidazolium

Autor: Léger, Corentin, Pitard, Irène, Sadi, Mirko, Carvalho, Nicolas, Brier, Sébastien, Mechaly, Ariel, Raoux-Barbot, Dorothée, Davi, Maryline, Hoos, Sylviane, Weber, Patrick, Vachette, Patrice, Durand, Dominique, Haouz, Ahmed, Guijarro, J. Iñaki, Ladant, Daniel, Chenal, Alexandre
Rok vydání: 2022
DOI: 10.6084/m9.figshare.20461890
Popis: Additional file 1: Figure S1. Synchrotron radiation far-UV circular dichroism. Figure S2. Isothermal titration calorimetry of holo-CaM:CDZ. Figure S3. Analysis of holo-CaM using SAXS. Table S1. SAXS data collection and scattering derived parameters. Table S2. Crystallographic data collection and refinement statistics. Figure S4. Difference electron density map. Figure S5. Interactions between CDZ and holo-CaM residues visualized using Ligplot+. Table S3. Detailed location of residues interacting with CDZ according to Ligplot+ and comparison with HDX-MS data. Table S4. HDX-MS data summary. Figure S6. Peptide map of CaM by HDX-MS. Figure S7. Deuterium uptake plots. Figure S8. Comparison of the differential HDX patterns within holo-CaM upon H-helix (A), P454 (B), MLCK (C) and CDZ (D) binding. Table S5. Rotational correlation time (τc) of holo-CaM at different holo-CaM:CDZ ratios. Table S6. Comparison of secondary structure content from SRCD, NMR and X-ray. Figure S9. Order parameter (S2) reflecting the amplitude of motions on the ns-ps time scales of free holo-CaM. Figure S10. holo-CaM internal dynamics from 15N relaxation data. Figure S11. Comparison of holo-CaM internal dynamics from 15N relaxation data in complex with CDZ. Figure S12. Statistical analysis performed with MEMHDX.
Databáze: OpenAIRE