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....
| Main Authors: | , , , , |
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| Format: | Online |
| Language: | English |
| Published: |
MDPI
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4030872/ |