Brownian dynamics simulations of the β2-adrenergic receptor extracellular loops: Evidence for helix movement in ligand binding?

Yukiko Kamiya; Christopher A. Reynolds

doi:10.1016/S0166-1280(98)00568-5

Brownian dynamics simulations of the β₂-adrenergic receptor extracellular loops: Evidence for helix movement in ligand binding?

Yukiko Kamiya, Christopher A. Reynolds

University of Essex

Research output: Contribution to journal › Article › peer-review

8 Citations (Scopus)

Abstract

Brownian dynamics simulations of the gating mechanism of the extracellular loops of the β₂-adrenergic receptor suggest that loop gating alone will not permit the larger ligands to bind and hence suggests that lateral helix movement is also required in the binding process.

Original language	English
Pages (from-to)	229-232
Number of pages	4
Journal	Journal of Molecular Structure: THEOCHEM
Volume	469
Issue number	1-3
Early online date	17 Aug 1999
DOIs	https://doi.org/10.1016/S0166-1280(98)00568-5
Publication status	Published - 1 Sept 1999
Externally published	Yes

Keywords

Brownian dynamics
Domain swapping
G-protein coupled receptors
Ligand binding
β-adrenergic receptor

ASJC Scopus subject areas

Biochemistry
Condensed Matter Physics
Physical and Theoretical Chemistry

Access to Document

10.1016/S0166-1280(98)00568-5

Cite this

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title = "Brownian dynamics simulations of the β2-adrenergic receptor extracellular loops: Evidence for helix movement in ligand binding?",

abstract = "Brownian dynamics simulations of the gating mechanism of the extracellular loops of the β2-adrenergic receptor suggest that loop gating alone will not permit the larger ligands to bind and hence suggests that lateral helix movement is also required in the binding process.",

keywords = "Brownian dynamics, Domain swapping, G-protein coupled receptors, Ligand binding, β-adrenergic receptor",

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T2 - Evidence for helix movement in ligand binding?

AU - Kamiya, Yukiko

AU - Reynolds, Christopher A.

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AB - Brownian dynamics simulations of the gating mechanism of the extracellular loops of the β2-adrenergic receptor suggest that loop gating alone will not permit the larger ligands to bind and hence suggests that lateral helix movement is also required in the binding process.

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KW - Domain swapping

KW - G-protein coupled receptors

KW - Ligand binding

KW - β-adrenergic receptor

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