Extended Data Figure 1: Interactions in the orthosteric ligand-binding site of BRIL–δOR(ΔN/ΔC)–naltrindole. | Nature

Extended Data Figure 1: Interactions in the orthosteric ligand-binding site of BRIL–δOR(ΔN/ΔC)–naltrindole.

From: Molecular control of δ-opioid receptor signalling

Extended Data Figure 1

a, ‘Close up’ view of the hydrogen-bond interaction network (yellow dotted lines) between the ligand naltrindole (orange sticks) and receptor (green cartoon; side chains shown as sticks) showing water (red spheres)-mediated interactions. b, Overview of water-mediated interactions (grey dotted lines) in the orthosteric pocket of BRIL–δOR(ΔN/ΔC)–naltrindole. c, mFo – DFc ‘omit’ electron density map (blue mesh) around naltrindole (orange sticks) after simulated annealing in PHENIX41 (5,000 K; contoured at 3σ); all water molecules surrounding the ligand in the orthosteric site are shown (red spheres). d, Surface representation of the BRIL–δOR(ΔN/ΔC)–naltrindole (green surface) showing the position of naltrindole (orange sticks) and the water cluster (red spheres) in the orthosteric site.

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