| DOI | Trouver le DOI : https://doi.org/10.1016/j.fob.2014.05.001 |
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| Auteur | Rechercher : Dorosh, Lyudmyla1; Rechercher : Rajagopalan, Nandhakishore2; Rechercher : Loewen, Michele C.2; Rechercher : Stepanova, Maria1 |
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| Affiliation | - Conseil national de recherches du Canada. Institut national de nanotechnologie
- Conseil national de recherches du Canada. Développement des cultures et des ressources aquatiques
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| Format | Texte, Article |
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| Sujet | abscisic acid; homodimer; mutant protein; pyrabactin receptor 1; in vitro study; molecular dynamics; mutation; protein analysis; protein function; protein structure; signal transduction; simulation |
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| Résumé | Pyrabactin receptors (PYR) play a central role in abscisic acid (ABA) signal transduction; they are ABA receptors that inhibit type 2C protein phosphatases (PP2C). Molecular aspects contributing to increased basal activity of PYR against PP2C are studied by molecular dynamics (MD) simulations. An extensive series of MD simulations of the apo-form of mutagenized PYR1 as a homodimer and in complex with homology to ABA-insensitive 1 (HAB1) phosphatase are reported. In order to investigate the detailed molecular mechanisms mediating PYR1 activity, the MD data was analyzed by essential collective dynamics (ECD), a novel approach that allows the identification, with atomic resolution, of persistent dynamic correlations based on relatively short MD trajectories. Employing the ECD method, the effects of select mutations on the structure and dynamics of the PYR1 complexes were investigated and considered in the context of experimentally determined constitutive activities against HAB1. Approaches to rationally design constitutively active PYR1 constructs to increase PP2C inhibition are discussed. |
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| Date de publication | 2014-01-01 |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Numéro NPARC | 21272783 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | 7bda731e-ce13-4b10-8501-8aca2f7de443 |
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| Enregistrement créé | 2014-12-03 |
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| Enregistrement modifié | 2020-04-22 |
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