QM/MM model of the mouse olfactory receptor MOR244-3 validated by site-directed mutagenesis experiments.

Journal Article (Letter)

Understanding structure/function relationships of olfactory receptors is challenging due to the lack of x-ray structural models. Here, we introduce a QM/MM model of the mouse olfactory receptor MOR244-3, responsive to organosulfur odorants such as (methylthio)methanethiol. The binding site consists of a copper ion bound to the heteroatoms of amino-acid residues H105, C109, and N202. The model is consistent with site-directed mutagenesis experiments and biochemical measurements of the receptor activation, and thus provides a valuable framework for further studies of the sense of smell at the molecular level.

Full Text

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Duke Authors

Matsunami, Hiroaki

Cited Authors

Sekharan, S; Ertem, MZ; Zhuang, H; Block, E; Matsunami, H; Zhang, R; Wei, JN; Pan, Y; Batista, VS

Published Date

September 2014

Published In

Biophysical Journal

Volume / Issue

107 / 5

Start / End Page

L5 - L8

PubMed ID

25185561

Electronic International Standard Serial Number (EISSN)

1542-0086

International Standard Serial Number (ISSN)

0006-3495

Digital Object Identifier (DOI)

10.1016/j.bpj.2014.07.031

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