Fig. 13.5.

Crystal structures of 20(OH)D3, 1,20(OH)D3, and 1,25(OH)2D3 in complexes with the VDR ligand-binding domain

The crystal structures of 20S(OH)D3, in complex with the Danio Rerio VDR (zVDR) LBD, were determined and compared to those of 1,20(OH)₂D3 and 1,25(OH)₂D3 VDR complexes as described previously [119]. The complexes with 20(OH)D3 (PDB ID 5OW9), 1,20(OH)₂D3 (PDB ID 5MX7), and 1,25(OH)₂D3 (PBD ID 2HC4) are shown in cyan, yellow, and salmon, respectively. Hydrogen bonds between the ligands and LBD are represented by purple dashed lines. Details of the interactions mediated by the side chains of 20(OH)D3 are in the second image from the left. Hydrophobic interactions are indicated by gray dashed lines, and hydrogen bonds are depicted as pink dashed lines. Only residues within 4 Å of the ligand are shown by stick representation. The residue numbers correspond to human VDR. The detailed description and analysis are in [119]. (The work is reprinted from [119] under the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/) with small modifications)