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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Autor principal: Moffatt, Luciano
Publicado: 2016
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Acceso en línea: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
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spelling 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
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