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DB01268 : sunitinib

Approved drug sunitinib ... 8 targets DB01268

Generic name: sunitinib PDB Het Group: B49
 
7 structures in PDB
Brand name(s): sutent.
Formula: C22H27Fn4O2
IUPAC Formula: N-[2-(Diethylamino)ethyl]-5-{[(3z)-5-Fluoro-2-Oxo-2,3-Dihydro-1h-Indol-3-Ylidene]methyl}-2,4-
Dimethyl-1h-Pyrrole-3-Carboxamide
PDB name: N-[2-(Diethylamino)ethyl]-5-[(Z)-(5-Fluoro-2-Oxo-1,2-Dihydro-3h-Indol-3-Ylidene)methyl]-2,4-
Dimethyl-1h-Pyrrole-3-Carboxamide

8
There are 8 target proteins defined in DrugBank for this drug.
 7 
7 of these target proteins have one or more structures in the PDB.
 3 
There are 3 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.
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Information  
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Target proteins

DrugBank drug Target 1:   UniProt id: P09619 (PGFRB_HUMAN)  -  Beta platelet-derived growth factor receptor
UniProt id: P09619    1105 a.a.  
1. 1lwp A     363 a.a. 363   Theor. model
  2. 3mjg X,Y     274 a.a. 274   X-ray 2.30 Å
  3. 2l6w A,B     39 a.a. 38   NMR  
  4. 1gq5 A     91 a.a. 16   X-ray 2.20 Å
  5. 2pld B     11 a.a. 10   NMR  
There are no PDB entries containing sunitinib 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 2:   UniProt id: P17948 (VGFR1_HUMAN)  -  Vascular endothelial growth factor receptor 1
UniProt id: P17948    1337 a.a.  
1. 3hng A     288 a.a. 288   X-ray 2.70 Å
  2. 1qsv A     101 a.a. 101   NMR  
  3. 1qsz A     101 a.a. 101   NMR  
  4. 2xac C,X     98 a.a. 98   X-ray 2.71 Å
  5. 1flt X,Y     95 a.a. 95   X-ray 1.70 Å
   more ...
There are no PDB entries containing sunitinib bound to this target protein, although there are 7 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 3:   UniProt id: P10721 (KIT_HUMAN)  -  Mast/stem cell growth factor receptor
UniProt id: P10721    975 a.a.  
1. 3g0e A   332 a.a. 328   X-ray 1.60 Å
  2. 3g0f A,B   291 a.a. 290   X-ray 2.60 Å
The PDB contains 2 entries of sunitinib bound to this target protein and 14 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 4:   UniProt id: P35968 (VGFR2_HUMAN)  -  Vascular endothelial growth factor receptor 2
UniProt id: P35968    1355 a.a.  
4agd A   304 a.a. 304   X-ray 2.81 Å
The PDB contains 1 entry of sunitinib bound to this target protein and 43 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 5:   UniProt id: P35916 (VGFR3_HUMAN)  -  Vascular endothelial growth factor receptor 3
UniProt id: P35916    1362 a.a.  
1. 4bsj A     213 a.a. 210   X-ray 2.50 Å
  2. 4bsk A     172 a.a. 172   X-ray 4.20 Å
There are no PDB entries containing sunitinib bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 6:   UniProt id: P36888 (FLT3_HUMAN)  -  FL cytokine receptor
UniProt id: P36888    992 a.a.  
1. 3qs9 E,G,H     405 a.a. 405   X-ray 7.80 Å
  2. 3qs7 E,F     328 a.a. 328   X-ray 4.30 Å
  3. 1rjb A     298 a.a. 298   X-ray 2.10 Å
There are no PDB entries containing sunitinib bound to this target protein, although there are 3 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 7:   UniProt id: P07333 (CSF1R_HUMAN)  -  Macrophage colony-stimulating factor 1 receptor
UniProt id: P07333    971 a.a.  
1. 4liq E     469 a.a. 469   X-ray 2.60 Å
  2. 2ogv A     317 a.a. 317   X-ray 2.70 Å
  3. 3bea A     310 a.a. 305   X-ray 2.02 Å
  4. 2i1m A     311 a.a. 302   X-ray 1.80 Å
  5. 3krj A     304 a.a. 302   X-ray 2.10 Å
   more ...
There are no PDB entries containing sunitinib bound to this target protein, although there are 13 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 8:   UniProt id: P16234 (PGFRA_HUMAN)  -  Alpha platelet-derived growth factor receptor
UniProt id: P16234    1089 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 sunitinib bound in the PDB

There are 2 "non-target" proteins in the PDB containing the sunitinib 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: P15735 ()  -  Phosphorylase b kinase gamma catalytic chain, liver/testis isoform OS=Homo sapiens GN=PHKG2 PE=1 SV=1
UniProt id: P15735    405 a.a.  
2y7j A,B,C,D   284 a.a. 284   X-ray 2.50 Å
The PDB contains 1 entry of sunitinib bound to this protein
Protein 2:   UniProt id: Q9NQU5 ()  -  Serine/threonine-protein kinase PAK 6 OS=Homo sapiens GN=PAK6 PE=1 SV=1
UniProt id: Q9NQU5    680 a.a.  
4ks8 A   286 a.a. 285   X-ray 1.95 Å
The PDB contains 1 entry of sunitinib 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.

 

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