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DB00624 : testosterone

Approved drug testosterone ... 1 target DB00624

Generic name: testosterone PDB Het Group: TES
 
22 structures in PDB
Brand name(s): andriol, androderm, androgel, androlin, andronaq, andronate 100, andronate 200, andropatch, andropository 200, androsorb, andrusol, andryl 200, bio-t-gel, cristerona t, cristerone t, everone 200, libigel, malerone, malestrone, mertestate, metandren, methyltestosterone, neo-hombreol f, neo-testis, neotestis, oreton, oreton f, oreton methyl, oreton-f, orquisteron, perandren, percutacrine androgenique, primotest, primoteston, relibra, striant, sustanon, sustanone, synandrol f, t-cypionate, teslen, testamone 100, testandrone, testaqua, testiculosterone, testim, testobase, testoderm, testoderm tts, testogel, testoject-50, testolin, testopel pellets, testopropon, testosteroid, testoviron, testoviron schering, testoviron t, testrin-p.a, testro aq, testrone, testryl, virormone, virosterone.
Formula: C19H28O2
IUPAC Formula: (1s,2r,10r,11s,14s,15s)-14-Hydroxy-2,15-Dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-En-5-
One
PDB name: Testosterone

1
There is 1 target protein defined in DrugBank for this drug.
 1 
The target protein has one or more structures in the PDB.
 11 
There are 11 PDB structures of the drug molecule bound to its target protein.
 7 
There are 7 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
Links  
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ChEBI
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PubChem
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Information  
Pharmacology
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Action

 

Target proteins

DrugBank drug Target 1:   UniProt id: P10275 (ANDR_HUMAN)  -  Androgen receptor
UniProt id: P10275    918 a.a.  
1. 2am9 A   250 a.a. 250   X-ray 1.64 Å
  2. 3zqt A   250 a.a. 250   X-ray 2.29 Å
  3. 2ylo A   250 a.a. 250   X-ray 2.50 Å
  4. 2yhd A   249 a.a. 249   X-ray 2.20 Å
  5. 2ylp A   249 a.a. 249   X-ray 2.30 Å
   more ...
The PDB contains 11 entries of testosterone bound to this target protein and 55 entries of this target protein in all (click on orange, plus icon for list).

Key:    PfamA 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 testosterone bound in the PDB

There are 5 "non-target" proteins in the PDB containing the testosterone molecule bound. That is, the UniProt code for the proteins is missing or does not match the drug target above.

Protein 1:   UniProt id: P23457 ()  -  3-alpha-hydroxysteroid dehydrogenase OS=Rattus norvegicus GN=Akr1c9 PE=1 SV=1
UniProt id: P23457    321 a.a.  
1afs A,B   319 a.a. 318   X-ray 2.50 Å
The PDB contains 1 entry of testosterone bound to this protein
Protein 2:   UniProt id: P80508 ()  -  Prostaglandin-E(2) 9-reductase OS=Oryctolagus cuniculus GN=AKR1C5 PE=1 SV=1
UniProt id: P80508    322 a.a.  
1q13 A,B   322 a.a. 322   X-ray 2.08 Å
The PDB contains 1 entry of testosterone bound to this protein
Protein 3:   UniProt id: Q5YNS8 ()  -  Cytochrome P450 monooxygenase OS=Nocardia farcinica (strain IFM 10152) GN=NFA_53110 PE=3 SV=1
UniProt id: Q5YNS8    409 a.a.  
4j6d A,B   407 a.a. 407   X-ray 2.40 Å
The PDB contains 1 entry of testosterone bound to this protein
Protein 4:   UniProt id: Q65ZC0 ()  -  Kappa light chain C_region (Fragment) OS=Mus musculus GN=Igkc PE=2 SV=1
UniProt id: Q65ZC0    218 a.a.  
1i9j L   219 a.a. 202   X-ray 2.60 Å
The PDB contains 1 entry of testosterone bound to this protein
Protein 5:   Crystal structure analysis of the anti-testosterone fab in complex with testosterone
  No Pfam domain assignments available for this protein.
1. 1l7s H   221 a.a. 50   X-ray 2.15 Å
  2.    " L   219 a.a. 219   "
  3. 1vpo H   221 a.a. 50   X-ray 2.15 Å
  4.    " L   219 a.a. 219   "
  5. 3kdm H,B   222 a.a. 56   X-ray 1.50 Å

Key:    PfamA domain  Secondary structure  Bound drug molecule

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

Where there is more than one PDB model for a given UniProt sequence, the models are ordered by: 1. decreasing order of similarity to the UniProt sequence, 2. X-ray structures (in order of increasing resolution), NMR structures, and theoretical models. Clicking on any PDB code take you to the corresponding PDBsum page.

 

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