Fig. 7: Water distribution in MFSD2A varies between the OFS and OcS.
From: Substrate binding-induced conformational transitions in the omega-3 fatty acid transporter MFSD2A
a Pore radius in angstroms (Å) as a function of pore coordinate (z) calculated using the HOLE software for trajectory frames representing OFS (grey) and OcS (pink). For each ensemble, 100 trajectory frames were considered, and the results for each frame are shown as a separate trace. The locations of several residues along the pore coordinate are shown for reference. The dashed rectangle indicates the region where the pore radius between the OFS and OcS diverges. b Representative model of ggMFSD2A in the OFS (only selected TMs are shown, as indicated) highlighting positions of the reference residues from panel a. The pore direction was set along the membrane normal z-axis. (c) Distribution of pore radius values for the OFS (grey) and OcS (pink) systems at pore coordinate intervals of z\(\in\)[135Å ;140 Å] (top), z\(\in\)[140Å ;145 Å] (middle), and z\(\in\)[145Å ;150 Å] (bottom). d, e EC view of ggMFSD2A in the OFS (d) and OcS (e) showing the average position of the pore direction in the two ensembles (yellow and purple sticks) respectively. Residues F60, D92, E312 and F399 are highlighted as sticks for reference. f EC view and side view of ggMFSD2A in the OFS showing the divergence of pore directions in the OFS and OcS conformations from panels d and e.
