Crystal structures of human ET<sub>B</sub> receptor provide mechanistic insight into receptor activation and partial activation.

Shihoya, Wataru; Izume, Tamaki; Inoue, Asuka; Yamashita, Keitaro; Kadji, Francois Marie Ngako; Hirata, Kunio; Aoki, Junken; Nishizawa, Tomohiro et al. · Nat Commun · 2018

basic_science · Level V

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Abstract

Endothelin receptors (ET<sub>A</sub> and ET<sub>B</sub>) are class A GPCRs activated by vasoactive peptide endothelins, and are involved in blood pressure regulation. ET<sub>B</sub>-selective signalling induces vasorelaxation, and thus selective ET<sub>B</sub> agonists are expected to be utilized for improved anti-tumour drug delivery and neuroprotection. Here, we report the crystal structures of human ET<sub>B</sub> receptor in complex with ET<sub>B</sub>-selective agonist, endothelin-3 and an ET<sub>B</sub>-selective endothelin analogue IRL1620. The structure of the endothelin-3-bound receptor reveals that the disruption of water-mediated interactions between W6.48 and D2.50 is critical for receptor activation, while these hydrogen-bonding interactions are partially preserved in the IRL1620-bound structure. Consistently, functional analysis reveals the partial agonistic effect of IRL1620. The current findings clarify the detailed molecular mechanism for the coupling between the orthosteric pocket and the G-protein binding, and the partial agonistic effect of IRL1620, thus paving the way for the design of improved agonistic drugs targeting ET<sub>B</sub>.

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