Conformational Ensembles of an Intrinsically Disordered Protein pKID with and without a KIX Domain in Explicit Solvent Investigated by All-Atom Multicanonical Molecular Dynamics

Conformational Ensembles of an Intrinsically Disordered Protein pKID with and without a KIX Domain in Explicit Solvent Investigated by All-Atom Multicanonical Molecular Dynamics

The phosphorylated kinase-inducible activation domain (pKID) adopts a helix–loop–helix structure upon binding to its partner KIX, although it is unstructured in the unbound state. The N-terminal and C-terminal regions of pKID, which adopt helices in the complex, are called, respectively, αA and αB....

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Bibliographic Details
Main Authors: Haruki Nakamura, Mitsunori Takano, Jinzen Ikebe, Koji Umezawa, Junichi Higo
Format: Article
Language:English
Published: MDPI AG 2012-02-01
Series:Biomolecules
Subjects:
IDP
phosphorylated kinase inducible domain
kinase-induced domain interacting domain
coupled folding and binding
free energy landscape
mixed lineage leukemia (MLL)
Online Access:http://www.mdpi.com/2218-273X/2/1/104

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http://www.mdpi.com/2218-273X/2/1/104

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