Fig. 3: Conformational switch between open and closed NanoLuc β-barrel structures.
From: Illuminating the mechanism and allosteric behavior of NanoLuc luciferase
a Cartoon representations of (i) ligand-free apo-NanoLuc structure (PDB ID: 5B0U), (iii) FMA-bound NanoLuc structure, and (ii) their superposition. The H93 and Y94 residues and FMA-luciferin are shown as space-filling spheres. b Close-up views of (i) luciferin-binding surface pocket in ligand-free apo-NanoLuc structure (PDB ID: 5B0U), (iii) FMA-bound NanoLuc structure, and (ii) their superposition. R43, H57, K89, H93 and Y94 residues are shown as space-filling spheres, and the FMA luciferin is shown as yellow sticks. c 2Fo-Fc electron density (contour level 1.2 σ) at the chloride-binding sites 1 and 2. d, e Cutaway surface representations of NanoLuc β-barrel interior in a closed (d) and open (e) state. Note that in the closed β-barrel state, the two chloride ions are bound inside the β-barrel.
