QM/MM model of the mouse olfactory receptor MOR244-3 validated by site-directed mutagenesis experiments.
Publication
, Journal Article
Sekharan, S; Ertem, MZ; Zhuang, H; Block, E; Matsunami, H; Zhang, R; Wei, JN; Pan, Y; Batista, VS
Published in: Biophys J
September 2, 2014
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.
Duke Scholars
Published In
Biophys J
DOI
EISSN
1542-0086
Publication Date
September 2, 2014
Volume
107
Issue
5
Start / End Page
L5 / L8
Location
United States
Related Subject Headings
- Water
- Structure-Activity Relationship
- Sequence Alignment
- Receptors, Odorant
- Receptor, Muscarinic M2
- Quantum Theory
- Protein Structure, Secondary
- Mutagenesis, Site-Directed
- Molecular Sequence Data
- Models, Molecular
Citation
APA
Chicago
ICMJE
MLA
NLM
Sekharan, S., Ertem, M. Z., Zhuang, H., Block, E., Matsunami, H., Zhang, R., … Batista, V. S. (2014). QM/MM model of the mouse olfactory receptor MOR244-3 validated by site-directed mutagenesis experiments. Biophys J, 107(5), L5–L8. https://doi.org/10.1016/j.bpj.2014.07.031
Sekharan, Sivakumar, Mehmed Z. Ertem, Hanyi Zhuang, Eric Block, Hiroaki Matsunami, Ruina Zhang, Jennifer N. Wei, Yi Pan, and Victor S. Batista. “QM/MM model of the mouse olfactory receptor MOR244-3 validated by site-directed mutagenesis experiments.” Biophys J 107, no. 5 (September 2, 2014): L5–8. https://doi.org/10.1016/j.bpj.2014.07.031.
Sekharan S, Ertem MZ, Zhuang H, Block E, Matsunami H, Zhang R, et al. QM/MM model of the mouse olfactory receptor MOR244-3 validated by site-directed mutagenesis experiments. Biophys J. 2014 Sep 2;107(5):L5–8.
Sekharan, Sivakumar, et al. “QM/MM model of the mouse olfactory receptor MOR244-3 validated by site-directed mutagenesis experiments.” Biophys J, vol. 107, no. 5, Sept. 2014, pp. L5–8. Pubmed, doi:10.1016/j.bpj.2014.07.031.
Sekharan S, Ertem MZ, Zhuang H, Block E, Matsunami H, Zhang R, Wei JN, Pan Y, Batista VS. QM/MM model of the mouse olfactory receptor MOR244-3 validated by site-directed mutagenesis experiments. Biophys J. 2014 Sep 2;107(5):L5–L8.
Published In
Biophys J
DOI
EISSN
1542-0086
Publication Date
September 2, 2014
Volume
107
Issue
5
Start / End Page
L5 / L8
Location
United States
Related Subject Headings
- Water
- Structure-Activity Relationship
- Sequence Alignment
- Receptors, Odorant
- Receptor, Muscarinic M2
- Quantum Theory
- Protein Structure, Secondary
- Mutagenesis, Site-Directed
- Molecular Sequence Data
- Models, Molecular