spacer
spacer

Search 

DB00630 : alendronate

Approved drug alendronate ... 6 targets DB00630

Generic name: alendronate PDB Het Group: AHD
 
4 structures in PDB
Brand name(s): adronat, alendros, arendal, fosamax, fosamax plus d, onclast.
Formula: C4H13No7P2
IUPAC Formula: (4-Amino-1-Hydroxy-1-Phosphonobutyl)phosphonic acid
PDB name: 4-Amino-1-Hydroxybutane-1,1-Diyldiphosphonate

6
There are 6 target proteins defined in DrugBank for this drug.
 4 
4 of these target proteins have one or more structures in the PDB.
 2 
There are 2 PDB structures of the drug molecule bound to its target protein.
 2 
There are 2 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
Links  
DrugBank
RxList
ChEBI
PubChem
MSDChem
Ligand Expo
HIC-Up
Information  
Pharmacology
Indication
Action

 

Target proteins

DrugBank drug Target 1:   UniProt id: P14324 (FPPS_HUMAN)  -  Farnesyl pyrophosphate synthetase
UniProt id: P14324    418 a.a.  
1. 2f92 F   343 a.a. 343   X-ray 2.15 Å
  2. 4kqu A   340 a.a. 339   X-ray 2.07 Å
The PDB contains 2 entries of alendronate bound to this target protein and 47 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 2:   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 3:   UniProt id: P29074 (PTN4_HUMAN)  -  Tyrosine-protein phosphatase non-receptor type 4
UniProt id: P29074    925 a.a.  
1. 2i75 A     273 a.a. 273   X-ray 2.45 Å
  2. 2cs5 A     119 a.a. 106   NMR  
  3. 2vph A     98 a.a. 95   X-ray 1.90 Å
  4. 3nfk A,B     92 a.a. 92   X-ray 1.43 Å
  5. 3nfl A,B     92 a.a. 92   X-ray 1.91 Å
There are no PDB entries containing alendronate bound to this target protein, although there are 5 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 4:   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. 4bpc A     566 a.a. 557   X-ray 2.10 Å
  3. 2yd9 A     278 a.a. 276   X-ray 2.60 Å
  4. 2yd3 A     200 a.a. 197   X-ray 2.30 Å
  5. 2yd2 A     197 a.a. 197   X-ray 2.55 Å
There are no PDB entries containing alendronate bound to this target protein, although there are 5 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 5:   UniProt id: P23469 (PTPRE_HUMAN)  -  Receptor-type tyrosine-protein phosphatase epsilon
UniProt id: P23469    699 a.a.  
2jjd A,B,C,D,...     537 a.a. 536   X-ray 3.20 Å
There are no PDB entries containing alendronate bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 6:   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 alendronate bound in the PDB

There are 2 "non-target" proteins in the PDB containing the alendronate 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: O81086 ()  -  Alpha-bisabolene synthase OS=Abies grandis GN=ag1 PE=1 SV=1
UniProt id: O81086    816 a.a.  
3sdt A   775 a.a. 775   X-ray 1.89 Å
The PDB contains 1 entry of alendronate bound to this protein
Protein 2:   UniProt id: Q8WS26 ()  -  Farnesyl diphosphate synthase OS=Trypanosoma cruzi PE=1 SV=1
UniProt id: Q8WS26    424 a.a.  
1yhm A,B,C   362 a.a. 359   X-ray 2.50 Å
The PDB contains 1 entry of alendronate bound to this protein

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

The black crosses on the secondary structure diagrams indicate where the PDB and UniProt sequences differ.

 

Structure selection

Use the checkboxes above to select the structure(s) of interest, and then press the required button below to view:
View 3D structure
Select preferred viewer and click on 3D struct button
AstexViewer™@MSD-EBI
RasMol
STRAP multiple alignment viewer
LIGPLOT diagrams
Press button below for LIGPLOT diagrams of drug-protein interactions in all selected structures above.

  spacer

spacer