The Dynamic Behavior of the P2X4 Ion Channel in the Closed Conformation
We present the results of a detailed molecular dynamics study of the closed form of the P2X4 receptor. The fluctuations observed in the simulations were compared with the changes that occur in the transition from the closed to the open structure. To get further insight on the opening mechanism, the...
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paper:paper_00063495_v111_n12_p2642_PierdominiciSottile2023-06-08T14:31:15Z The Dynamic Behavior of the P2X4 Ion Channel in the Closed Conformation Moffatt, Luciano purinergic P2X4 receptor channel gating chemistry metabolism molecular dynamics protein conformation Ion Channel Gating Molecular Dynamics Simulation Protein Conformation Receptors, Purinergic P2X4 We present the results of a detailed molecular dynamics study of the closed form of the P2X4 receptor. The fluctuations observed in the simulations were compared with the changes that occur in the transition from the closed to the open structure. To get further insight on the opening mechanism, the actual displacements were decomposed into interchain motions and intrachain deformations. This analysis revealed that the iris-like expansion of the transmembrane helices mainly results from interchain motions that already take place in the closed conformation. However, these movements cannot reach the amplitude required for the opening of the channel because they are impeded by interactions occurring around the ATP binding pocket. This suggests that the union of ATP produces distortions in the chains that eliminate the restrictions on the interchain displacements, leading to the opening of the pore. © 2016 Biophysical Society Fil:Moffatt, L. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2016 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00063495_v111_n12_p2642_PierdominiciSottile http://hdl.handle.net/20.500.12110/paper_00063495_v111_n12_p2642_PierdominiciSottile |
institution |
Universidad de Buenos Aires |
institution_str |
I-28 |
repository_str |
R-134 |
collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
topic |
purinergic P2X4 receptor channel gating chemistry metabolism molecular dynamics protein conformation Ion Channel Gating Molecular Dynamics Simulation Protein Conformation Receptors, Purinergic P2X4 |
spellingShingle |
purinergic P2X4 receptor channel gating chemistry metabolism molecular dynamics protein conformation Ion Channel Gating Molecular Dynamics Simulation Protein Conformation Receptors, Purinergic P2X4 Moffatt, Luciano The Dynamic Behavior of the P2X4 Ion Channel in the Closed Conformation |
topic_facet |
purinergic P2X4 receptor channel gating chemistry metabolism molecular dynamics protein conformation Ion Channel Gating Molecular Dynamics Simulation Protein Conformation Receptors, Purinergic P2X4 |
description |
We present the results of a detailed molecular dynamics study of the closed form of the P2X4 receptor. The fluctuations observed in the simulations were compared with the changes that occur in the transition from the closed to the open structure. To get further insight on the opening mechanism, the actual displacements were decomposed into interchain motions and intrachain deformations. This analysis revealed that the iris-like expansion of the transmembrane helices mainly results from interchain motions that already take place in the closed conformation. However, these movements cannot reach the amplitude required for the opening of the channel because they are impeded by interactions occurring around the ATP binding pocket. This suggests that the union of ATP produces distortions in the chains that eliminate the restrictions on the interchain displacements, leading to the opening of the pore. © 2016 Biophysical Society |
author |
Moffatt, Luciano |
author_facet |
Moffatt, Luciano |
author_sort |
Moffatt, Luciano |
title |
The Dynamic Behavior of the P2X4 Ion Channel in the Closed Conformation |
title_short |
The Dynamic Behavior of the P2X4 Ion Channel in the Closed Conformation |
title_full |
The Dynamic Behavior of the P2X4 Ion Channel in the Closed Conformation |
title_fullStr |
The Dynamic Behavior of the P2X4 Ion Channel in the Closed Conformation |
title_full_unstemmed |
The Dynamic Behavior of the P2X4 Ion Channel in the Closed Conformation |
title_sort |
dynamic behavior of the p2x4 ion channel in the closed conformation |
publishDate |
2016 |
url |
https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00063495_v111_n12_p2642_PierdominiciSottile http://hdl.handle.net/20.500.12110/paper_00063495_v111_n12_p2642_PierdominiciSottile |
work_keys_str_mv |
AT moffattluciano thedynamicbehaviorofthep2x4ionchannelintheclosedconformation AT moffattluciano dynamicbehaviorofthep2x4ionchannelintheclosedconformation |
_version_ |
1768544667317567488 |