Prediction of GABARAP interaction with the GABA type A receptor.
Repository URI
Repository DOI
Type
Article
Change log
Authors
Irwin, BWJ
Vukovič, Siniša
Payne, MC
ElGamacy, Mohammad
Chau, P-L https://orcid.org/0000-0003-3614-1561
Abstract
We have performed docking simulations on GABARAP interacting with the GABA type A receptor using SwarmDock. We have also used a novel method to study hydration sites on the surface of these two proteins; this method identifies regions around proteins where desolvation is relatively easy, and these are possible locations where proteins can bind each other. There is a high degree of consistency between the predictions of these two methods. Moreover, we have also identified binding sites on GABARAP for other proteins, and listed possible binding sites for as yet unknown proteins on both GABARAP and the GABA type A receptor intracellular domain.
Description
Keywords
GABAA receptor, GABARAP, free energy change, Adaptor Proteins, Signal Transducing, Apoptosis Regulatory Proteins, Binding Sites, Databases, Protein, Humans, Microtubule-Associated Proteins, Molecular Docking Simulation, Protein Conformation, Protein Multimerization, Receptors, GABA-A, Thermodynamics
Journal Title
Proteins
Conference Name
Journal ISSN
0887-3585
1097-0134
1097-0134
Volume Title
86
Publisher
Wiley
Publisher DOI
Sponsorship
EPSRC (1502911)
Engineering and Physical Sciences Research Council (EP/L015552/1)
Medical Research Council (MR/L007266/1)
Engineering and Physical Sciences Research Council (EP/P034616/1)
Engineering and Physical Sciences Research Council (EP/L015552/1)
Medical Research Council (MR/L007266/1)
Engineering and Physical Sciences Research Council (EP/P034616/1)