Fig. 5
From: Mitochondrial potassium channels: A novel calcitriol target
Predicted docking poses of calcitriol on the BKCa channel with and without Ca2+and a close-up of the specific residues predicted to interact with calcitriol. A Protein alignments of two structures in 3D, BKCa channel Ca2+-bound (red color; PDB: 6v22) and BKCa channel Ca2+-free (blue color; PDB: 6v35). B calcitriol molecule C Docking poses of calcitriol (red color) on the cytoplasmic domain of the Ca2+-free BKCa channel, showing wide diversity of binding poses. D Predicted docking poses of calcitriol (yellow color) on the cytoplasmic domain of the Ca2+-bound (green spheres) BKCa channel. E The predicted binding energies of two calcitriol binding poses (top 1, top 2). F Close-up of the specific residues of the BKCa channel protein predicted to interact with calcitriol (top 1) hydroxyl group on C1 calcitriol carbon. G Close-up of the specific residues of the BKCa channel protein predicted to interact with calcitriol (top 1) hydroxyl group on C25 calcitriol carbon