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DB00694 : daunorubicin

Approved drug daunorubicin ... 3 targets DB00694

Generic name: daunorubicin PDB Het Group: DM1
 
16 structures in PDB
Brand name(s): acetyladriamycin, anthracyline, antibiotics from streptomyces coeruleorubidus, cerubidin, cerubidine, dm1, daunamycin, daunarubicinum, daunoblastin, daunomycin, daunomycin hydrochloride, daunomycin, hydrochloride, daunorrubicina, daunorubicin hcl, daunorubicin hydrochloride, daunorubicin, hydrochloride, daunorubicine, daunorubicinum [inn-latin], daunoxome, leukaemomycin c, ondena, rcra waste no. u059, rp 13057 hydrochloride, rubidomycin, rubidomycin hydrochloride, rubomycin c.
Formula: C27H29No10
IUPAC Formula: (8s,10s)-8-Acetyl-10-{[(2r,4s,5s,6s)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]oxy}-6,8,11-Trihydroxy-1-
Methoxy-5,7,8,9,10,12-Hexahydrotetracene-5,12-Dione
PDB name: Daunomycin

3
There are 3 target proteins defined in DrugBank for this drug.
 2 
2 of these target proteins have one or more structures in the PDB.
 1 
There is 1 PDB structure 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:   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 daunorubicin bound to this target protein, although there are 4 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 3:   UniProt id: Q02880 (TOP2B_HUMAN)  -  DNA topoisomerase 2-beta
UniProt id: Q02880    1625 a.a.  
1. 3qx3 A,B     671 a.a. 671   X-ray 2.16 Å
  2. 4j3n A,B     666 a.a. 666   X-ray 2.30 Å
  3. 4g0w A,B     664 a.a. 664   X-ray 2.70 Å
  4. 4g0v A,B     663 a.a. 663   X-ray 2.55 Å
  5. 4g0u A,B     655 a.a. 655   X-ray 2.70 Å
There are no PDB entries containing daunorubicin bound to this target protein, although there are 5 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  Secondary structure  Bound drug molecule

 

Other proteins with daunorubicin bound in the PDB

There is 1 "non-target" protein in the PDB containing the daunorubicin 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: A2RI36 ()  -  Transcriptional regulator, PadR-like family OS=Lactococcus lactis subsp. cremoris (strain MG1363) GN=llmg_0323 PE=1 SV=1
UniProt id: A2RI36    115 a.a.  
3f8f A,B   114 a.a. 113   X-ray 2.20 Å
The PDB contains 1 entry of daunorubicin 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.

 

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