Figure 8 | Scientific Reports

Figure 8

From: Investigation of 20S-hydroxyvitamin D3 analogs and their 1α-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities

Figure 8

Detailed views of 20S(OH)D3 analogs/VDR LBD complexes. (A) Hydrogen-bonding network between 20S(OH)D3 analogs and zVDR LBD/SRC1 complexes. The complexes with 20S(OH)D3 (PDB ID 5OW9), 4 (PDB ID 5OWD), 33 (PDB ID 5OW7), 1,20S(OH)2D3 (PDB ID 5MX7) and 1,25(OH)2D3 (PBD ID 2HC4) are shown in cyan, green, pink, yellow, and salmon, respectively. Hydrogen bonds between the ligands and LBD are represented by purple dashed lines. A dual conformation of the side chain of Arg274 is observed in the VDR/33 complex. (B) Details of the interactions mediated by the side chains of 20S(OH)D3 analogs. Hydrophobic interactions are indicated by grey dashed lines, and hydrogen bonds are depicted as pink dashed lines. Only residues within 4 Å of the ligand are shown by stick representation. A water molecule (W) depicted by a red cross interacts with His397 and His305 in the VDR/4 complex. The residues numbers correspond to human VDR.

Back to article page