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DB01024 : mycophenolic acid

Approved drug mycophenolic acid ... 2 targets DB01024

Generic name: mycophenolic acid PDB Het Group: MOA
 
7 structures in PDB
Brand name(s): melbex, myfortic.
Formula: C17H20O6
IUPAC Formula: (4e)-6-(4-Hydroxy-6-Methoxy-7-Methyl-3-Oxo-1,3-Dihydro-2-Benzofuran-5-Yl)-4-Methylhex-4-Enoic acid
PDB name: Mycophenolic acid

2
There are 2 target proteins defined in DrugBank for this drug.
 2 
2 of these target proteins have one or more structures in the PDB.
 7 
There are 7 PDB structures 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:   UniProt id: P20839 (IMDH1_HUMAN)  -  Inosine-5'-monophosphate dehydrogenase 1
UniProt id: P20839    513 a.a.  
1jcn A,B     395 a.a. 393   X-ray 2.50 Å
There are no PDB entries containing mycophenolic acid bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 2:   UniProt id: P12268 (IMDH2_HUMAN)  -  Inosine-5'-monophosphate dehydrogenase 2
UniProt id: P12268    513 a.a.  
1. 1nf7 A,B     454 a.a. 454   X-ray 2.65 Å
  2. 1nfb A,B     396 a.a. 396   X-ray 2.90 Å
  3. 1b3o A     307 a.a. 307   X-ray 2.90 Å
There are no PDB entries containing mycophenolic acid bound to this target protein, although there are 3 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  Secondary structure  Bound drug molecule

 

Other proteins with mycophenolic acid bound in the PDB

There are 4 "non-target" proteins in the PDB containing the mycophenolic acid 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: E3P6S0 ()  -  Inosine-5'-monophosphate dehydrogenase OS=Cryptococcus neoformans GN=IMD1 PE=1 SV=1
UniProt id: E3P6S0    543 a.a.  
4af0 A,B   395 a.a. 394   X-ray 2.20 Å
The PDB contains 1 entry of mycophenolic acid bound to this protein
Protein 2:   UniProt id: P12269 ()  -  Inosine-5'-monophosphate dehydrogenase 2 OS=Cricetulus griseus GN=IMPDH2 PE=1 SV=1
UniProt id: P12269    513 a.a.  
1jr1 A   436 a.a. 436   X-ray 2.60 Å
The PDB contains 1 entry of mycophenolic acid bound to this protein
Protein 3:   UniProt id: P50097 ()  -  Inosine-5'-monophosphate dehydrogenase OS=Tritrichomonas foetus GN=IMPDH PE=1 SV=1
UniProt id: P50097    502 a.a.  
1. 1me7 A   365 a.a. 365   X-ray 2.15 Å
  2. 1meh A   353 a.a. 352   X-ray 1.95 Å
  3. 1mei A   351 a.a. 351   X-ray 2.20 Å
The PDB contains 3 entries of mycophenolic acid bound to this protein
Protein 4:   UniProt id: Q9KTW3 ()  -  Inosine-5'-monophosphate dehydrogenase OS=Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961) GN=guaB PE=1 SV=1
UniProt id: Q9KTW3    488 a.a.  
1. 4fxs A   467 a.a. 467   X-ray 2.24 Å
  2. 4fo4 A,B   348 a.a. 345   X-ray 2.03 Å
The PDB contains 2 entries of mycophenolic 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.

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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