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

Duke Authors

Cited Authors

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

Published Date

  • September 2, 2014

Published In

Volume / Issue

  • 107 / 5

Start / End Page

  • L5 - L8

PubMed ID

  • 25185561

Pubmed Central ID

  • PMC4156664

Electronic International Standard Serial Number (EISSN)

  • 1542-0086

Digital Object Identifier (DOI)

  • 10.1016/j.bpj.2014.07.031


  • eng

Conference Location

  • United States