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DB00997 : doxorubicin

Approved drug doxorubicin ... 2 targets DB00997

Generic name: doxorubicin PDB Het Group: DM2
 
7 structures in PDB
Brand name(s): adm, adriablastin, adriamycin, adriamycin pfs, adriamycin rdf, adriamycin semiquinone, adriblastin, adriblastina, caelyx, dm2, doxil, doxo, myocet, rdf rubex, resmycin, rubex.
Formula: C27H29No11
IUPAC Formula: (8s,10s)-10-{[(2r,4s,5s,6s)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]oxy}-6,8,11-Trihydroxy-8-(2-
Hydroxyacetyl)-1-Methoxy-5,7,8,9,10,12-Hexahydrotetracene-5,12-Dione
PDB name: Doxorubicin

2
There are 2 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 containing the drug molecule bound to a protein that is not specified as a target.
Links  
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Target proteins

DrugBank drug Target 1:   Bacterial outer membrane
  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)
DrugBank drug Target 2:   UniProt id: P11388 (TOP2A_HUMAN)  -  DNA topoisomerase 2-alpha
UniProt id: P11388    1530 a.a.  
1. 1lwz A     779 a.a. 771   Theor. model
  2. 4fm9 A     727 a.a. 727   X-ray 2.90 Å
  3. 1zxm A,B     373 a.a. 373   X-ray 1.87 Å
  4. 1zxn A,B,C,D     366 a.a. 366   X-ray 2.51 Å
There are no PDB entries containing doxorubicin bound to this target protein, although there are 4 entries of the target protein (click the orange, plus icon for a 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 doxorubicin bound in the PDB

There is 1 "non-target" protein in the PDB containing the doxorubicin molecule bound. That is, the UniProt code for the protein is missing or does not match any of the drug targets listed above.

Protein 1:   UniProt id: P31224 ()  -  Multidrug efflux pump subunit AcrB OS=Escherichia coli (strain K12) GN=acrB PE=1 SV=1
UniProt id: P31224    1048 a.a.  
1. 4dx7 A,B,C   1042 a.a. 1041   X-ray 2.25 Å
  2. 2dr6 A,B,C   1022 a.a. 1021   X-ray 3.30 Å
The PDB contains 2 entries of doxorubicin 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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