3W0J: Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands

Non-secosteroidal ligands for vitamin D receptor (VDR) have been developed for the agonist with non-calcemic profiles. Here, we provide the structural mechanism of VDR agonism by novel non-secosteroidal ligands. All ligands had the similar efficacy, while two had the higher potency. Crystallographic analyses revealed that all ligands interacted with helix H10 and the loop between helices H6 and H7 in a similar manner, but also that the two ligands with higher potency had different interaction modes. This study suggests that distinct ligand potency depend upon differences in the formation and rearrangement of hydrogen-bond networks induced by each ligand.
PDB ID: 3W0JDownload
MMDB ID: 114389
PDB Deposition Date: 2012/10/30
Updated in MMDB: 2017/12
Experimental Method:
x-ray diffraction
Resolution: 1.84  Å
Source Organism:
Rattus norvegicus
Similar Structures:
Biological Unit for 3W0J: dimeric; determined by author and by software (PISA)
Molecular Components in 3W0J
Label Count Molecule
Proteins (2 molecules)
Vitamin D3 Receptor(Gene symbol: Vdr)
Molecule annotation
Mediator of RNA Polymerase II Transcription Subunit 1(Gene symbol: MED1)
Molecule annotation
Chemical (1 molecule)
* Click molecule labels to explore molecular sequence information.

Citing MMDB