Long-Range Conformational Transition of a Photoswitchable Allosteric Protein: Molecular Dynamics Simulation Study

A local perturbation of a protein may lead to functional changes at some distal site. An example is the PDZ2 domain of human tyrosine phosphatase 1E, which shows an allosteric transition upon binding to a peptide ligand. Recently Buchli et al. presented a time-resolved study of this transition by co...

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Veröffentlicht in:	The journal of physical chemistry. B 2014-11, Vol.118 (47), p.13468-13476
Hauptverfasser:	Buchenberg, Sebastian, Knecht, Volker, Walser, Reto, Hamm, Peter, Stock, Gerhard
Format:	Artikel
Sprache:	eng
Schlagworte:	Allosteric Regulation Anchors Binding Binding Sites Computer simulation Humans Mathematical models Molecular dynamics Molecular Dynamics Simulation Nuclear Magnetic Resonance, Biomolecular Peptides Photochemical Processes Protein Conformation Protein Structure, Secondary Protein Structure, Tertiary Protein Tyrosine Phosphatase, Non-Receptor Type 13 - chemistry Protein Tyrosine Phosphatase, Non-Receptor Type 13 - radiation effects Proteins Tyrosine Water - chemistry
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