Evolutionary and Functional Relationships in the Truncated Hemoglobin Family
Fig 3
The three topological tunnels in trHbs.
Top: examples of free energy profiles (FEPs) along the three potential ligand migration paths for Mt-trHbN Long Tunnel (LT), Short Tunnel G8 (STG8) and Cj-trHbP at E7 Gate (E7G). DP, SP and TP correspond to distal, secondary and tertiary pockets, respectively. The x coordinate is defined by the Fe-O2 distance through the pathway. Bottom: schematic representations of the heme distal residues, the tunnel and cavities system estimated with implicit ligand sampling for LT, STG8 and E7G.