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DB00625 : efavirenz

Approved drug efavirenz ... 1 target DB00625

Generic name: efavirenz PDB Het Group: EFZ
 
6 structures in PDB
Brand name(s): stocrin, sustiva.
Formula: C14H9Clf3No2
IUPAC Formula: (4s)-6-Chloro-4-(2-Cyclopropylethynyl)-4-(Trifluoromethyl)-2,4-Dihydro-1h-3,1-Benzoxazin-2-One
PDB name: (-)-6-Chloro-4-Cyclopropylethynyl-4-Trifluoromethyl-1,4-Dihydro-2h-3,1-Benzoxazin-2-One

1
There is 1 target protein defined in DrugBank for this drug.
 6 
There are 6 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
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Target proteins

DrugBank drug Target 1:   UniProt id: Q5DNL9 (Q5DNL9_9HIV1)  -  Reverse transcriptase
  No Pfam domain assignments available for this protein.
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)

Key:  

 

Other proteins with efavirenz bound in the PDB

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

Protein 1:   UniProt id: P03366 ()  -  Gag-Pol polyprotein OS=Human immunodeficiency virus type 1 group M subtype B (isolate BH10) GN=gag-pol PE=1 SV=3
UniProt id: P03366    1446 a.a.  
1. 1ikw A   557 a.a. 556   X-ray 3.00 Å
  2. 1ikv A   556 a.a. 555   X-ray 3.00 Å
The PDB contains 2 entries of efavirenz bound to this protein
Protein 2:   UniProt id: P04585 ()  -  Gag-Pol polyprotein OS=Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) GN=gag-pol PE=1 SV=4
UniProt id: P04585    1434 a.a.  
1. 1jkh A   550 a.a. 548   X-ray 2.50 Å
  2. 1fko A   542 a.a. 540   X-ray 2.90 Å
  3. 4b3o A   540 a.a. 535   X-ray 3.30 Å
  4. 1fk9 A   519 a.a. 518   X-ray 2.50 Å
The PDB contains 4 entries of efavirenz 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.

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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