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

ABSTRACT: 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.

SUBMITTER: Sekharan S

PROVIDER: S-EPMC4156664 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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

Sekharan Sivakumar S Ertem Mehmed Z MZ Zhuang Hanyi H Block Eric E Matsunami Hiroaki H Zhang Ruina R Wei Jennifer N JN Pan Yi Y Batista Victor S VS

Biophysical journal 20140901 5

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 ac ...[more]

PMID: 25185561

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Dataset Information

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

Publications

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

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