Fig. 1

Fig. 1 Pocket identification for virtual screening on the zebrafish OTOP1 cryo-EM structure.

A Top view of the zebrafish OTOP1 (DrOTOP1) dimer (PDB: 6NF4) with transmembrane helices (TM) shown as cylinders. One monomer is colored in a rainbow spectrum, TM helices 1 to 12 are labeled, and the other monomer is colored gray. Putative pores in the N-domain, C-domain, and the intrasubunit interface are indicated with red circles and the central tunnel between the dimer is indicated with a black oval. B Side view of DrOTOP1 monomer depicted as a cartoon, with the N-domain colored dark green and the C-domain colored light green. AutoSite-predicted pockets are shown along the putative pores in the N-domain (orange), C-domain (blue) and the intrasubunit interface (pink). Gray rectangles indicate the height of the lipid bilayer, with the extracellular side (Ext.) on the top and the intracellular side (Int.). C Inset of (B) showing a zoom-in of the C-domain pocket shown as a transparent surface (blue), with pocket-lining residues labeled and shown as sticks, and the backbone shown as a transparent cartoon.