Analysis of Protein Disorder Predictions in the Light of a Protein Structural Alphabet - Archive ouverte HAL Access content directly
Journal Articles Biomolecules Year : 2020

Analysis of Protein Disorder Predictions in the Light of a Protein Structural Alphabet

(1, 2, 3)
1
2
3

Abstract

Intrinsically-disordered protein (IDP) characterization was an amazing change of paradigm in our classical sequence-structure-function theory. Moreover, IDPs are over-represented in major disease pathways and are now often targeted using small molecules for therapeutic purposes. This has had created a complex continuum from order-that encompasses rigid and flexible regions-to disorder regions; the latter being not accessible through classical crystallographic methodologies. In X-ray structures, the notion of order is dictated by access to resolved atom positions, providing rigidity and flexibility information with low and high experimental B-factors, while disorder is associated with the missing (non-resolved) residues. Nonetheless, some rigid regions can be found in disorder regions. Using ensembles of IDPs, their local conformations were analyzed in the light of a structural alphabet. An entropy index derived from this structural alphabet allowed us to propose a continuum of states from rigidity to flexibility and finally disorder. In this study, the analysis was extended to comparing these results to disorder predictions, underlying a limited correlation, and so opening new ideas to characterize and predict disorder.
Fichier principal
Vignette du fichier
biomolecules-10-01080-v3.pdf (2.89 Mo) Télécharger le fichier
Vignette du fichier
Biomolecules_de Brevern_Supplementary Materials.pdf (891.39 Ko) Télécharger le fichier
Origin : Publisher files allowed on an open archive
Loading...

Dates and versions

inserm-02907391 , version 1 (27-07-2020)

Identifiers

Cite

Alexandre de Brevern. Analysis of Protein Disorder Predictions in the Light of a Protein Structural Alphabet. Biomolecules, 2020, 10 (7), pp.1080. ⟨10.3390/biom10071080⟩. ⟨inserm-02907391⟩
35 View
64 Download

Altmetric

Share

Gmail Facebook Twitter LinkedIn More