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Article

The E2.65A mutation disrupts dynamic binding poses of SB269652 at the dopamine D2 and D3 receptors.

PLoS computational biology - 1 Jan 2018

Verma Ravi Kumar, Abramyan Ara M, Michino Mayako, Free R Benjamin, Sibley David R, Javitch Jonathan A, Lane J Robert, Shi Lei

Abstract excerpt

The dopamine D2 and D3 receptors (D2R and D3R) are important targets for antipsychotics and for the treatment of drug abuse. SB269652, a bitopic ligand that simultaneously binds both the orthosteric binding site (OBS) and a secondary binding pocket (SBP) in both D2R and D3R, was found to be a negative allosteric modulator. Previous studies identified Glu2.65 in the SBP to be a key determinant of both the affinity...

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PMID: 29337986
DOI: 10.1371/journal.pcbi.1005948
PMCID: PMC5786319

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