spacer
spacer

Search 

DB00184 : nicotine

Approved drug nicotine ... 11 targets DB00184

Generic name: nicotine PDB Het Group: NCT
 
6 structures in PDB
Brand name(s): black leaf, black leaf 40, campbell's nico-soap, commit, destruxol orchid spray, emo-nik, flux maag, fumetobac, habitrol, mach-nic, niagara p.a. dust, nic-sal, nico-dust, nico-fume, nicocide, nicoderm, nicoderm cq, nicorette, nicorette plus, nicotin, nicotina, nicotine polacrilex, nicotrol, nicotrol inhaler, nicotrol ns, nikotyna, ortho n-4 dust, ortho n-5 dust, prostep, tendust.
Formula: C10H14N2
IUPAC Formula: 3-(1-Methylpyrrolidin-2-Yl)pyridine
PDB name: (S)-3-(1-Methylpyrrolidin-2-Yl)pyridine

11
There are 11 target proteins defined in DrugBank for this drug.
 5 
5 of these target proteins have one or more structures in the PDB.
 5 
There are 5 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
Links  
DrugBank
RxList
ChEBI
KEGG drug
PubChem
MSDChem
Ligand Expo
HIC-Up
Information  
Pharmacology
Indication
Action

 

Target proteins

DrugBank drug Target 1:   UniProt id: Q05901 (ACHB3_HUMAN)  -  Neuronal acetylcholine receptor subunit beta-3
UniProt id: Q05901    458 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 2:   UniProt id: P30926 (ACHB4_HUMAN)  -  Neuronal acetylcholine receptor subunit beta-4
UniProt id: P30926    497 a.a.  
2asg B,D,E     23 a.a. 23   Theor. model
There are no PDB entries containing nicotine bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 3:   UniProt id: P43681 (ACHA4_HUMAN)  -  Neuronal acetylcholine receptor subunit alpha-4
UniProt id: P43681    626 a.a.  
1. 2gvt A,C     204 a.a. 204   Theor. model
  2. 2lly A     134 a.a. 98   NMR  
There are no PDB entries containing nicotine 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 4:   UniProt id: P36544 (ACHA7_HUMAN)  -  Neuronal acetylcholine receptor subunit alpha-7
UniProt id: P36544    501 a.a.  
2maw A     134 a.a. 93   NMR  
There are no PDB entries containing nicotine bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 5:   UniProt id: P17787 (ACHB2_HUMAN)  -  Neuronal acetylcholine receptor subunit beta-2
UniProt id: P17787    501 a.a.  
1. 2gvt B,D,E     204 a.a. 204   Theor. model
  2. 2ksr A     140 a.a. 138   NMR  
  3. 2lm2 A     136 a.a. 92   NMR  
  4. 2k58 B     35 a.a. 35   NMR  
  5. 2k59 B     28 a.a. 28   NMR  
There are no PDB entries containing nicotine 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 6:   UniProt id: Q15822 (ACHA2_HUMAN)  -  Neuronal acetylcholine receptor subunit alpha-2
UniProt id: Q15822    529 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 7:   UniProt id: P32297 (ACHA3_HUMAN)  -  Neuronal acetylcholine receptor subunit alpha-3
UniProt id: P32297    504 a.a.  
2asg A,C     23 a.a. 23   Theor. model
There are no PDB entries containing nicotine bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 8:   UniProt id: P30532 (ACHA5_HUMAN)  -  Neuronal acetylcholine receptor subunit alpha-5
UniProt id: P30532    468 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 9:   UniProt id: Q15825 (ACHA6_HUMAN)  -  Neuronal acetylcholine receptor subunit alpha-6
UniProt id: Q15825    494 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: Q9UGM1 (ACHA9_HUMAN)  -  Neuronal acetylcholine receptor subunit alpha-9
UniProt id: Q9UGM1    479 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 11:   UniProt id: Q9GZZ6 (ACH10_HUMAN)  -  Neuronal acetylcholine receptor subunit alpha-10
UniProt id: Q9GZZ6    450 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  Secondary structure  Bound drug molecule

 

Other proteins with nicotine bound in the PDB

There are 5 "non-target" proteins in the PDB containing the nicotine 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: P11509 ()  -  Cytochrome P450 2A6 OS=Homo sapiens GN=CYP2A6 PE=1 SV=3
UniProt id: P11509    493 a.a.  
4ejj A,B,C,D   465 a.a. 464   X-ray 2.30 Å
The PDB contains 1 entry of nicotine bound to this protein
Protein 2:   UniProt id: P22770 ()  -  Neuronal acetylcholine receptor subunit alpha-7 OS=Gallus gallus GN=CHRNA7 PE=1 SV=1
UniProt id: P22770    501 a.a.  
1ol8 A,B   206 a.a. 206   Theor. model
The PDB contains 1 entry of nicotine bound to this protein
Protein 3:   UniProt id: P58154 ()  -  Acetylcholine-binding protein OS=Lymnaea stagnalis PE=1 SV=1
UniProt id: P58154    228 a.a.  
1uw6 A,B,C,D,...   208 a.a. 206   X-ray 2.20 Å
The PDB contains 1 entry of nicotine bound to this protein
Protein 4:   UniProt id: Q16696 ()  -  Cytochrome P450 2A13 OS=Homo sapiens GN=CYP2A13 PE=1 SV=3
UniProt id: Q16696    493 a.a.  
4ejg A,B,C,D,...   464 a.a. 464   X-ray 2.50 Å
The PDB contains 1 entry of nicotine bound to this protein
Protein 5:   Structure of human anti-nicotine fab fragment in complex with nicotine
  No Pfam domain assignments available for this protein.
1. 2yk1 H   182 a.a. 57   X-ray 1.85 Å
  2.    " L   188 a.a. 188   "

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

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