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
Language
- eng
Conference Location
- United States