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DB00242 : cladribine

Approved drug cladribine ... 10 targets DB00242

Generic name: cladribine PDB Het Group: CL9
 
2 structures in PDB
Brand name(s): leustatin, mylinax.
Formula: C10H12Cln5O3
IUPAC Formula: (2r,3s,5r)-5-(6-Amino-2-Chloro-9h-Purin-9-Yl)-2-(Hydroxymethyl)oxolan-3-Ol
PDB name: 2-Chloro-2'-Deoxyadenosine

10
There are 10 target proteins defined in DrugBank for this drug.
 6 
6 of these target proteins have one or more structures in the PDB.
 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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Target proteins

DrugBank drug Target 1:   UniProt id: P00491 (PNPH_HUMAN)  -  Purine nucleoside phosphorylase
UniProt id: P00491    288 a.a.  
1. 1m73 E     288 a.a. 287   X-ray 2.30 Å
  2. 1pf7 E     288 a.a. 287   X-ray 2.60 Å
  3. 1v2h E     288 a.a. 287   X-ray 2.70 Å
  4. 3d1v A     288 a.a. 287   X-ray 2.70 Å
  5. 1ula A     289 a.a. 287   X-ray 2.75 Å
   more ...
There are no PDB entries containing cladribine bound to this target protein, although there are 34 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 2:   UniProt id: P23921 (RIR1_HUMAN)  -  Ribonucleoside-diphosphate reductase large subunit
UniProt id: P23921    791 a.a.  
1. 3hnd A,B     729 a.a. 729   X-ray 3.21 Å
  2. 3hne A,B     715 a.a. 715   X-ray 3.11 Å
  3. 3hnf A,B     715 a.a. 715   X-ray 3.16 Å
  4. 3hnc A,B     714 a.a. 714   X-ray 2.41 Å
  5. 2wgh A,B     644 a.a. 644   X-ray 2.30 Å
There are no PDB entries containing cladribine 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 3:   UniProt id: P31350 (RIR2_HUMAN)  -  Ribonucleoside-diphosphate reductase M2 subunit
UniProt id: P31350    388 a.a.  
1. 3olj A,B,C,D     286 a.a. 285   X-ray 2.10 Å
  2. 3vpn A,B     286 a.a. 284   X-ray 2.25 Å
  3. 3vpo A,B     286 a.a. 284   X-ray 2.30 Å
  4. 3vpm A,B     286 a.a. 284   X-ray 2.70 Å
  5. 2iyh A     275 a.a. 275   X-ray 2.80 Å
There are no PDB entries containing cladribine 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 4:   UniProt id: Q7LG56 (RIR2B_HUMAN)  -  Ribonucleoside-diphosphate reductase subunit M2 B
UniProt id: Q7LG56    350 a.a.  
1. 4djn A,B     287 a.a. 287   X-ray 2.20 Å
  2. 3hf1 A,B     279 a.a. 279   X-ray 2.60 Å
  3. 2vux A     272 a.a. 272   X-ray 2.80 Å
There are no PDB entries containing cladribine 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 5:   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 6:   UniProt id: P09884 (DPOLA_HUMAN)  -  DNA polymerase alpha catalytic subunit
UniProt id: P09884    1461 a.a.  
1. 1n5g A     38 a.a. 38   NMR  
  2. 1k0p A     31 a.a. 31   NMR  
  3. 1k18 A     31 a.a. 31   NMR  
There are no PDB entries containing cladribine 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: Q07864 (DPOE1_HUMAN)  -  DNA polymerase epsilon catalytic subunit A
UniProt id: Q07864    2286 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 8:   UniProt id: P56282 (DPOE2_HUMAN)  -  DNA polymerase epsilon subunit 2
UniProt id: P56282    526 a.a.  
2v6z M     75 a.a. 73   NMR  
There are no PDB entries containing cladribine bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 9:   UniProt id: Q9NRF9 (DPOE3_HUMAN)  -  DNA polymerase epsilon subunit 3
UniProt id: Q9NRF9    147 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 10:   UniProt id: Q9NR33 (DPOE4_HUMAN)  -  DNA polymerase epsilon subunit 4
UniProt id: Q9NR33    117 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 cladribine bound in the PDB

There is 1 "non-target" protein in the PDB containing the cladribine 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: P27707 ()  -  Deoxycytidine kinase OS=Homo sapiens GN=DCK PE=1 SV=1
UniProt id: P27707    259 a.a.  
1. 2zi9 A   242 a.a. 238   X-ray 2.51 Å
  2. 2zia A   220 a.a. 217   X-ray 1.80 Å
The PDB contains 2 entries of cladribine 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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