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DB00701 : amprenavir

Approved drug amprenavir ... 1 target DB00701

Generic name: amprenavir PDB Het Group: 478
 
18 structures in PDB
Brand name(s): agenerase, prozei, vertex.
Formula: C25H35N3O6S
IUPAC Formula: (3s)-Oxolan-3-Yl n-[(2s,3r)-3-Hydroxy-4-[N-(2-Methylpropyl)(4-Aminobenzene)sulfonamido]-1-
Phenylbutan-2-Yl]carbamate
PDB name: {3-[(4-Amino-Benzenesulfonyl)-Isobutyl-Amino]-1-Benzyl-2-Hydroxy-Propyl}-Carbamic acid tetrahydro-
Furan-3-Yl ester

1
There is 1 target protein defined in DrugBank for this drug.
 18 
There are 18 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: O90777 (O90777_9PLVG)  -  HIV-1 protease
UniProt id: O90777    99 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)

Key:    PfamA domain

 

Other proteins with amprenavir bound in the PDB

There are 8 "non-target" proteins in the PDB containing the amprenavir 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. 3nu3 A,B   99 a.a. 94   X-ray 1.02 Å
  2. 3nu6 A,B   99 a.a. 93   X-ray 1.16 Å
  3. 3nu4 A,B   99 a.a. 93   X-ray 1.20 Å
  4. 3nu5 A,B   99 a.a. 93   X-ray 1.29 Å
  5. 3nuo A,B   99 a.a. 93   X-ray 1.35 Å
 
The PDB contains 7 entries of amprenavir bound to this protein
Protein 2:   UniProt id: P03367 ()  -  Gag-Pol polyprotein OS=Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI) GN=gag-pol PE=1 SV=3
UniProt id: P03367    1446 a.a.  
1. 4jec A,B   99 a.a. 94   X-ray 2.00 Å
  2. 4j5j A,B   99 a.a. 77   X-ray 1.80 Å
The PDB contains 2 entries of amprenavir bound to this protein
Protein 3:   UniProt id: P03369 ()  -  Gag-Pol polyprotein OS=Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2) GN=gag-pol PE=1 SV=3
UniProt id: P03369    1436 a.a.  
1. 3ekv A,B   99 a.a. 97   X-ray 1.75 Å
  2. 3oxv B,A,D,C   99 a.a. 95   X-ray 1.75 Å
  3. 3em3 A,B   99 a.a. 95   X-ray 2.20 Å
  4. 3ekp A,B,C,D   99 a.a. 93   X-ray 2.15 Å
The PDB contains 4 entries of amprenavir bound to this protein
Protein 4:   UniProt id: P04587 ()  -  Gag-Pol polyprotein OS=Human immunodeficiency virus type 1 group M subtype B (isolate BH5) GN=gag-pol PE=1 SV=3
UniProt id: P04587    1446 a.a.  
1hpv A,B   99 a.a. 99   X-ray 1.90 Å
The PDB contains 1 entry of amprenavir bound to this protein
Protein 5:   UniProt id: P35963 ()  -  Gag-Pol polyprotein OS=Human immunodeficiency virus type 1 group M subtype B (isolate YU-2) GN=gag-pol PE=1 SV=3
UniProt id: P35963    1434 a.a.  
1t7j A,B   99 a.a. 95   X-ray 2.20 Å
The PDB contains 1 entry of amprenavir bound to this protein
Protein 6:   UniProt id: Q7SSE3 ()  -  Protease (Fragment) OS=Human immunodeficiency virus 1 GN=pol PE=1 SV=1
UniProt id: Q7SSE3    98 a.a.  
3s43 A   99 a.a. 90   X-ray 1.26 Å
The PDB contains 1 entry of amprenavir bound to this protein
Protein 7:   UniProt id: Q9E7M1 ()  -  Putative gag-pro-pol polyprotein OS=DG-75 Murine leukemia virus PE=1 SV=1
UniProt id: Q9E7M1    1732 a.a.  
3sm2 A,B   114 a.a. 114   X-ray 1.75 Å
The PDB contains 1 entry of amprenavir bound to this protein
Protein 8:   UniProt id: Q9W9R3 ()  -  Protease (Fragment) OS=Human immunodeficiency virus 2 GN=pol PE=1 SV=1
UniProt id: Q9W9R3    98 a.a.  
3s45 A,B   99 a.a. 98   X-ray 1.51 Å
The PDB contains 1 entry of amprenavir 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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