Molecular insights on CALX-CBD12 inter-domain dynamics from MD simulations, RDCs and SAXS.

de Souza Degenhardt MF, Vitale PAM, Abiko LA, Zacharias M, Sattler M, Oliveira CLP, Salinas RK
Biophys J (2021 Jul 23)

PMID: 34310942 doi: 10.1016/j.bpj.2021.07.022

Submitted to SASBDB: 2021 May 24 Published in SASBDB: 2021 Aug 10

SASDL26 – CBD12 of CALX1.1 (apo state) Sample: AT07459p monomer, 30 kDa Drosophila melanogaster protein Buffer: 20 mM Tris, 5 mM β-mercaptoethanol, 200 mM NaCl, 1% v/v glycerol, pH: 7.4 Experiment: SAXS data collected at Xenocs Xeuss, Institute of Physics, University of São Paulo on 2018 Mar 8 RgGuinier 2.5 nm Dmax 8.7 nm VolumePorod 41 nm3

SASDL36 – CBD12 of CALX1.1 in the calcium-bound state Sample: AT07459p monomer, 30 kDa Drosophila melanogaster protein Buffer: 20 mM Tris, 5 mM β-mercaptoethanol, 200 mM NaCl, 1% v/v glycerol, 0.8 mM CaCl2, pH: 7.4 Experiment: SAXS data collected at Xenocs Xeuss, Institute of Physics, University of São Paulo on 2018 Apr 13 RgGuinier 2.7 nm Dmax 9.3 nm VolumePorod 40 nm3