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DB01077 : etidronic acid

Approved drug etidronic acid ... 3 targets DB01077

Generic name: etidronic acid PDB Het Group: 911
 
1 structure in PDB
Brand name(s): cintichem technetium 99m hedspa, dequest 2010, dequest 2015, dequest z 010, didronel, didronel iv, ferrofos 510, mpi stannous diphosphonate, osteoscan, turpinal sl.
Formula: C2H8O7P2
IUPAC Formula: (1-Hydroxy-1-Phosphonoethyl)phosphonic acid
PDB name: (1-Hydroxyethane-1,1-Diyl)bis(phosphonic acid)

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.
 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: Q13332 (PTPRS_HUMAN)  -  Receptor-type tyrosine-protein phosphatase S
UniProt id: Q13332    1947 a.a.  
1. 2fh7 A     568 a.a. 567   X-ray 2.00 Å
  2. 4pbx A     568 a.a. 567   X-ray 3.15 Å
  3. 4bpc A     566 a.a. 557   X-ray 2.10 Å
  4. 2yd9 A     278 a.a. 276   X-ray 2.60 Å
  5. 2yd3 A     200 a.a. 197   X-ray 2.30 Å
There are no PDB entries containing etidronic acid bound to this target protein, although there are 6 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 3:   UniProt id: P38606 (VATA_HUMAN)  -  V-type proton ATPase catalytic subunit A
UniProt id: P38606    617 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 etidronic acid bound in the PDB

There is 1 "non-target" protein in the PDB containing the etidronic acid 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: O81086 ()  -  Alpha-bisabolene synthase OS=Abies grandis GN=ag1 PE=1 SV=1
UniProt id: O81086    816 a.a.  
3sdv A   775 a.a. 775   X-ray 2.20 Å
The PDB contains 1 entry of etidronic acid 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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