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DB01033 : mercaptopurine

Approved drug mercaptopurine ... 1 target DB01033

Generic name: mercaptopurine PDB Het Group: PM6
 
2 structures in PDB
Brand name(s): ismipur, leukerin, leupurin, mercaleukim, mercaleukin, mern, puri-nethol, purimethol, purinethol.
Formula: C5H4N4S
IUPAC Formula: 6,7-Dihydro-3h-Purine-6-Thione
PDB name: 9h-Purine-6-Thiol

1
There is 1 target protein defined in DrugBank for this drug.
 1 
The target protein has one or more structures in the PDB.
 2 
There are 2 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
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Information  
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Target proteins

DrugBank drug Target 1:   UniProt id: P00492 (HPRT_HUMAN)  -  Hypoxanthine-guanine phosphoribosyltransferase
UniProt id: P00492    217 a.a.  
1. 1bzy A,B,C,D     214 a.a. 214   X-ray 2.00 Å
  2. 1hmp A,B     214 a.a. 214   X-ray 2.50 Å
  3. 3ggj A,B     214 a.a. 214   X-ray 2.60 Å
  4. 3gep A,B     212 a.a. 212   X-ray 2.60 Å
  5. 1d6n A,B     214 a.a. 212   X-ray 2.70 Å
   more ...
There are no PDB entries containing mercaptopurine bound to this target protein, although there are 10 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

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

 

Other proteins with mercaptopurine bound in the PDB

There are 2 "non-target" proteins in the PDB containing the mercaptopurine molecule bound. That is, the UniProt code for the proteins is missing or does not match the drug target above.

Protein 1:   UniProt id: O55060 ()  -  Thiopurine S-methyltransferase OS=Mus musculus GN=Tpmt PE=1 SV=1
UniProt id: O55060    239 a.a.  
3bgd A,B   232 a.a. 232   X-ray 2.00 Å
The PDB contains 1 entry of mercaptopurine bound to this protein
Protein 2:   UniProt id: P80457 ()  -  Xanthine dehydrogenase/oxidase OS=Bos taurus GN=XDH PE=1 SV=4
UniProt id: P80457    1331 a.a.  
3ns1 C,L   755 a.a. 755   X-ray 2.60 Å
The PDB contains 1 entry of mercaptopurine bound to this protein

Key:    PfamA domain  PfamB 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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