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Figure 5
Oxygen-docking site in neuroglobin as determined by XRD at 50 and 80 bar O2. (a) The distal portion of the large internal cavity surrounding the heme as observed in the native ferric Ngb structure (PDB entry 1q1f; Vallone, Nienhaus, Brunori et al., 2004). (b) Ferric Ngb at 30 bar Xe showing the two internal sites (called Xe-III and Xe-IV) in the distal portion of the large cavity from PDB entry 3gk9 or 4o4t (Abraini et al., 2014BB2; Moschetti et al., 2009BB57). (c, d) Ferric Ngb under 50 bar (c) and 80 bar (d) O2 showing the dioxygen molecule (50% occupancy at 50 bar versus 85% occupancy at 80 bar) only in the Xe-III site of Ngb. Electron-density maps are contoured at 1.5σ.

IUCrJ
Volume 6| Part 5| September 2019| Pages 832-842
ISSN: 2052-2525
https://doi.org/10.1107/S2052252519008157