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DB00153 : ergocalciferol

Approved nutraceutical ergocalciferol ... 1 target DB00153

Generic name: ergocalciferol PDB Het Group: D2V
 
1 structure in PDB
Brand name(s): buco-d, calciferol, calciferon 2, condacaps, condocaps, condol, crtron, crystallina, d-arthin, d-tracetten, daral, davitamon d, davitin, de-rat concentrate, decaps, dee-osterol, dee-ron, dee-ronal, dee-roual, deltalin, deratol, detalup, diactol, divit urto, drisdol, ercalciol, ergorone, ergosterol activated, ergosterol, irradiated, ertron, fortodyl, geltabs, hi-deratol, infron, metadee, mulsiferol, mykostin, novovitamin-d, oleovitamin d, oleovitamin d, synthetic, oleovitamin d2, ostelin, radiostol, radstein, radsterin, rodine c, shock-ferol, shock-ferol sterogyl, sterogyl, uvesterol-d, vio-d, viostdrol, viosterol, viosterol in oil, vitavel-d.
Formula: C28H44O
IUPAC Formula: (1s,3z)-3-{2-[(1r,3as,4e,7ar)-1-[(2r,3e,5r)-5,6-Dimethylhept-3-En-2-Yl]-7a-Methyl-Octahydro-1h-
Inden-4-Ylidene]ethylidene}-4-Methylidenecyclohexan-1-Ol
PDB name: (3s,5z,7e,22e)-9,10-Secoergosta-5,7,10,22-Tetraen-3-Ol

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.
Links  
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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 ergocalciferol bound to this target protein, although there are 42 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  Secondary structure  Bound drug molecule

 

Other proteins with ergocalciferol bound in the PDB

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

Protein 1:   UniProt id: Q6VVX0 ()  -  Vitamin D 25-hydroxylase OS=Homo sapiens GN=CYP2R1 PE=1 SV=1
UniProt id: Q6VVX0    500 a.a.  
3czh A,B   465 a.a. 464   X-ray 2.30 Å
The PDB contains 1 entry of ergocalciferol 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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