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DB01426 : ajmaline

Approved drug ajmaline ... 1 target DB01426

Generic name: ajmaline PDB Het Group: AJM
 
4 structures in PDB
Brand name(s): none.
Formula: C20H26N2O2
IUPAC Formula: (1r,9r,10s,12r,13s,14r,16s,18r)-13-Ethyl-8-Methyl-8,15-
Diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2,4,6-Triene-14,18-Diol
PDB name: Ajmaline

1
There is 1 target protein defined in DrugBank for this drug.
 1 
The target protein has one or more structures in the PDB.
 4 
There are 4 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: Q14524 (SCN5A_HUMAN)  -  Sodium channel protein type 5 subunit alpha
UniProt id: Q14524    2015 a.a.  
1. 4dck A     153 a.a. 153   X-ray 2.20 Å
  2. 4jq0 D     142 a.a. 142   X-ray 3.84 Å
  3. 2kbi A     97 a.a. 93   NMR  
  4. 2l53 B     31 a.a. 27   NMR  
  5. 4djc B     13 a.a. 11   X-ray 1.35 Å
There are no PDB entries containing ajmaline bound to this target protein, although there are 5 entries of the target protein (click the orange, plus icon for a list).

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.

 

Other proteins with ajmaline bound in the PDB

There are 2 "non-target" proteins in the PDB containing the ajmaline molecule bound. That is, the UniProt code for the proteins is missing or does not match the drug target above.

Protein 1:   UniProt id: P59071 ()  -  Basic phospholipase A2 VRV-PL-VIIIa OS=Daboia russelii PE=1 SV=1
UniProt id: P59071    120 a.a.  
1. 1zr8 A   121 a.a. 120   X-ray 2.03 Å
  2. 2que A   121 a.a. 120   X-ray 2.25 Å
  3. 3cbi A,B,C,D   121 a.a. 120   X-ray 3.15 Å
The PDB contains 3 entries of ajmaline bound to this protein
Protein 2:   Crystal structure determination of a ternary complex of phospholipase a2 with a pentapetide flsyk and ajmaline at 2.5 a resolution
  No Pfam domain assignments available for this protein.
3fg5 A   121 a.a. 121   X-ray 2.50 Å

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.

 

Structure selection

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