Fig. 4: Cryo-EM structure of vanadate-trapped BSEP.
From: Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP
a Cryo-EM density map and model of vanadate-trapped BSEP. The N-terminal half (TMD1 and NBD1) is colored orange and the C-terminal half (TMD2 and NBD2) is colored green. ATP, ADP, and Mg2+ ions are shown as spheres. Cholesterols are shown as sticks (dark green). b Cartoon representation of NBDs viewed from the lipid membrane towards the cytoplasm. c Molecular interactions of ATP at NBS1, shown together with the density of Mg2+-ATP (blue density). d Molecular interactions of ADP-VO43− at NBS2, shown together with the density of Mg2+-ADP-VO43− (blue density). e, f 2D diagrams of the interactions of Mg2+-ATP or Mg2+-ADP-VO43− at NBS1 and NBS2, respectively.
