A class III ligand oscillates between internal and terminal binding modes as it engages with the Dishevelled PDZ domain

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Publikace nespadá pod Ústav výpočetní techniky, ale pod Středoevropský technologický institut. Oficiální stránka publikace je na webu muni.cz.
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KUMAR Jitender MICKA Miroslav KOMÁREK Jan KLUMPLER Tomáš BYSTRÝ Vojtěch SPRANGERS Remco BARINKA Cyril BRYJA Vítězslav TRIPSIANES Konstantinos

Rok publikování 2025
Druh Článek v odborném periodiku
Časopis / Zdroj Structure
Fakulta / Pracoviště MU

Středoevropský technologický institut

Citace
www https://www.sciencedirect.com/science/article/abs/pii/S096921262500190X?via%3Dihub
Doi https://doi.org/10.1016/j.str.2025.05.012
Klíčová slova MULTIPLE SEQUENCE ALIGNMENT; DYNAMIC ALLOSTERY; STRUCTURAL BASIS; PHAGE DISPLAY; PROTEIN; RECOGNITION; OVEREXPRESSION; PLASTICITY; PROMISCUITY; SPECIFICITY
Popis One of the largest domain-motif interactomes in human involves PSD-95/Discs-large/ZO-1 (PDZ) domains. The framework for understanding the PDZ interactome is well established; however the functional dynamics associated with PDZ-ligand interactions are poorly understood. Here, we report a dual PDZ-binding mode that ascribes unique dynamic features to class III ligand recognition. The crystal structure revealed that the PDZ domain can recognize either of the carboxylate moieties (terminal or internal) present in the class III ligand and laid out the register rules responsible for the dual recognition. Variants of the ligand designed to retain one or the other carboxylate of the native sequence were sufficient for PDZ binding. The conformational dynamics of PDZ probed by NMR relaxation dispersion experiments demonstrated that the class III ligand is shuffling binding modes as it engages with the PDZ domain. Our mechanistic findings reveal yet another aspect of PDZ binding plasticity specific to class III ligands.
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