Volume 113, Issue 10, Pages (November 2017)

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Volume 113, Issue 10, Pages 2199-2206 (November 2017) Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure Nathalie Colloc’h, Philippe Carpentier, Laura C. Montemiglio, Beatrice Vallone, Thierry Prangé Biophysical Journal Volume 113, Issue 10, Pages 2199-2206 (November 2017) DOI: 10.1016/j.bpj.2017.10.014 Copyright © 2017 Biophysical Society Terms and Conditions

Figure 1 (A and B) Neuroglobin in two different orientations in cartoon representation, with the heme, the distal histidine, and the proximal histidine shown in stick representation; the xenon and krypton atoms are shown in orange and blue spheres, respectively. Biophysical Journal 2017 113, 2199-2206DOI: (10.1016/j.bpj.2017.10.014) Copyright © 2017 Biophysical Society Terms and Conditions

Figure 2 Gas occupancy as a function of pressure within the B-D pocket, the storage, and the relay sites for Ar (triangle), Kr (square), and Xe in WT-Ngb (circle) and for Xe in V140W-Ngb (diamond). Biophysical Journal 2017 113, 2199-2206DOI: (10.1016/j.bpj.2017.10.014) Copyright © 2017 Biophysical Society Terms and Conditions

Figure 3 Neuroglobin proximal side with L103, F106, V140, or W140 residues and the heme shown in stick representation, the Xe atom as an orange sphere, and the beginning of the G helix in cartoon representation in V140W-Ngb (green), V140W-Ngb-Xe-30 (cyan), and CO-Ngb (PDB: 1W92, pink). Biophysical Journal 2017 113, 2199-2206DOI: (10.1016/j.bpj.2017.10.014) Copyright © 2017 Biophysical Society Terms and Conditions

Figure 4 Surface of Ngb (in mesh, considering the heme atoms as part of the protein) with the heme shown in stick representation. (A) Given here is the WT-Ngb with the Kr atoms (blue sphere) in the storage and relay sites and in the new binding site within the G-H pocket. WT-Ngb (B) and V140W-Ngb (C) with the main tunnel in blue and the secondary one in green were computed by CAVER. Biophysical Journal 2017 113, 2199-2206DOI: (10.1016/j.bpj.2017.10.014) Copyright © 2017 Biophysical Society Terms and Conditions