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Figure 5
Gas-tunnel network in R. eutropha [NiFe]-hydrogenase. (a) The structure of a krypton derivative of ReMBH reveals the pathway for both H2 and O2 (PDB entry 5d51). The 19 Kr atoms are represented as magenta spheres. The tunnel network is mapped (using Caver) as a grey surface and comprises two main tunnels and two branches. (b) Structure of the O2 derivative (PDB entry 5mdl) reveals the locations of four oxygen molecules; molecular dynamics suggest that O2 is preferentially redirected (red arrows) away from the NiFe active site.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 80| Part 2| February 2024| Pages 80-92
https://doi.org/10.1107/S2059798323010707
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