| First Author | Sekharan S | Year | 2014 |
| Journal | Biophys J | Volume | 107 |
| Issue | 5 | Pages | L5-L8 |
| PubMed ID | 25185561 | Mgi Jnum | J:261051 |
| Mgi Id | MGI:6154400 | Doi | 10.1016/j.bpj.2014.07.031 |
| Citation | Sekharan S, et al. (2014) QM/MM model of the mouse olfactory receptor MOR244-3 validated by site-directed mutagenesis experiments. Biophys J 107(5):L5-L8 |
| abstractText | 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. |
