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DB00787 : acyclovir

Approved drug acyclovir ... 3 targets DB00787

Generic name: acyclovir PDB Het Group: AC2
 
5 structures in PDB
Brand name(s): alti-acyclovir, avirax, sitavig, vipral, virorax, zovir, zovirax, zovirax topical.
Formula: C8H11N5O3
IUPAC Formula: 2-Amino-9-[(2-Hydroxyethoxy)methyl]-6,9-Dihydro-3h-Purin-6-One
PDB name: 9-Hyroxyethoxymethylguanine

3
There are 3 target proteins defined in DrugBank for this drug.
 1 
1 of these target proteins has one or more structures in the PDB.
 2 
There are 2 PDB structures of the drug molecule bound to its target protein.
 3 
There are 3 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
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Information  
Pharmacology
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Target proteins

DrugBank drug Target 1:   UniProt id: P03176 (KITH_HHV11)  -  Thymidine kinase
UniProt id: P03176    375 a.a.  
1. 1ki5 A,B   309 a.a. 309   X-ray 2.37 Å
  2. 2ki5 A,B   304 a.a. 304   X-ray 1.90 Å
The PDB contains 2 entries of acyclovir bound to this target protein and 35 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 2:   UniProt id: P04293 (DPOL_HHV11)  -  DNA polymerase
UniProt id: P04293    1235 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 3:   UniProt id: P09252 (DPOL_VZVD)  -  DNA polymerase
UniProt id: P09252    1194 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  PfamB domain  Secondary structure  Bound drug molecule

 

Other proteins with acyclovir bound in the PDB

There are 3 "non-target" proteins in the PDB containing the acyclovir molecule bound. That is, the UniProt code for the proteins is missing or does not match any of the drug targets listed above.

Protein 1:   UniProt id: O34925 ()  -  Purine nucleoside phosphorylase DeoD-type OS=Bacillus subtilis (strain 168) GN=deoD PE=1 SV=1
UniProt id: O34925    232 a.a.  
4da7 A   231 a.a. 230   X-ray 2.05 Å
The PDB contains 1 entry of acyclovir bound to this protein
Protein 2:   UniProt id: P00491 ()  -  Purine nucleoside phosphorylase OS=Homo sapiens GN=PNP PE=1 SV=2
UniProt id: P00491    288 a.a.  
1pwy E   288 a.a. 287   X-ray 2.80 Å
The PDB contains 1 entry of acyclovir bound to this protein
Protein 3:   UniProt id: P27707 ()  -  Deoxycytidine kinase OS=Homo sapiens GN=DCK PE=1 SV=1
UniProt id: P27707    259 a.a.  
3mjr A,B,C,D   230 a.a. 227   X-ray 2.10 Å
The PDB contains 1 entry of acyclovir 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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