Skip to Main content Skip to Navigation
New interface
Journal articles

Elucidation of the ATP7B N-Domain Mg2+-ATP Coordination Site and Its Allosteric Regulation

Abstract : The diagnostic of orphan genetic disease is often a puzzling task as less attention is paid to the elucidation of the pathophysiology of these rare disorders at the molecular level. We present here a multidisciplinary approach using molecular modeling tools and surface plasmonic resonance to study the function of the ATP7B protein, which is impaired in the Wilson disease. Experimentally validated in silico models allow the elucidation in the Nucleotide binding domain (N-domain) of the Mg 2+-ATP coordination site and answer to the controversial role of the Mg 2+ ion in the nucleotide binding process. The analysis of protein motions revealed a substantial effect on a long flexible loop branched to the N-domain protein core. We demonstrated the capacity of the loop to disrupt the interaction between Mg 2+-ATP complex and the N-domain and propose a role for this loop in the allosteric regulation of the nucleotide binding process.
Document type :
Journal articles
Complete list of metadata

Cited literature [55 references]  Display  Hide  Download
Contributor : Olek Maciejak Connect in order to contact the contributor
Submitted on : Monday, October 21, 2019 - 11:52:54 AM
Last modification on : Saturday, June 25, 2022 - 9:02:39 PM
Long-term archiving on: : Wednesday, January 22, 2020 - 2:08:54 PM


(2011) Elucidation of the ATP7...
Publication funded by an institution



Claude Hercend, Cyril Bauvais, Guillaume Bollot, Nicolas Delacotte, Philippe Chappuis, et al.. Elucidation of the ATP7B N-Domain Mg2+-ATP Coordination Site and Its Allosteric Regulation. PLoS ONE, 2011, 6 (10), pp.e26245. ⟨10.1371/journal.pone.0026245⟩. ⟨hal-02321495⟩



Record views


Files downloads