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DB00146 : calcidiol

Approved nutraceutical calcidiol ... 1 target DB00146

Generic name: calcidiol PDB Het Group: VDY
 
2 structures in PDB
Brand name(s): calderol, delakmin.
Formula: C27H44O2
IUPAC Formula: (1s,3z)-3-{2-[(1r,3as,4e,7ar)-1-[(2r)-6-Hydroxy-6-Methylheptan-2-Yl]-7a-Methyl-Octahydro-1h-Inden-4-
Ylidene]ethylidene}-4-Methylidenecyclohexan-1-Ol
PDB name: 3-{2-[1-(5-Hydroxy-1,5-Dimethyl-Hexyl)-7a-Methyl-Octahydro-Inden-4-Ylidene]-Ethylidene}-4-Methylene-
Cyclohexanol

1
There is 1 target protein defined in DrugBank for this nutraceutical.
 1 
The target protein has one or more structures in the PDB.
 1 
There is 1 PDB structure containing the nutraceutical molecule bound to a protein that is not specified as a target.
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Target proteins

DrugBank nutraceutical Target 1:   UniProt id: P11473 (VDR_HUMAN)  -  Vitamin D3 receptor
UniProt id: P11473    426 a.a.  
1. 1ie9 A     255 a.a. 255   X-ray 1.40 Å
  2. 3a40 X     255 a.a. 255   X-ray 1.45 Å
  3. 3p8x A     255 a.a. 255   X-ray 1.70 Å
  4. 3a3z X     255 a.a. 255   X-ray 1.72 Å
  5. 3a78 A     255 a.a. 255   X-ray 1.90 Å
   more ...
There are no PDB entries containing calcidiol bound to this target protein, although there are 43 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  Secondary structure  Bound drug molecule

 

Other proteins with calcidiol bound in the PDB

There is 1 "non-target" protein in the PDB containing the calcidiol molecule bound. That is, the UniProt code for the protein is missing or does not match the nutraceutical target above.

Protein 1:   UniProt id: Q9R0G6 ()  -  Cartilage oligomeric matrix protein OS=Mus musculus GN=Comp PE=1 SV=2
UniProt id: Q9R0G6    754 a.a.  
1mz9 A,B,C,D,E   45 a.a. 44   X-ray 1.70 Å
The PDB contains 1 entry of calcidiol bound to this protein

Key:    PfamA domain  Secondary structure  Bound drug molecule

The black crosses on the secondary structure diagrams indicate where the PDB and UniProt sequences differ.

 

Structure selection

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