spacer
spacer

Search 

DB00602 : ivermectin

Approved drug ivermectin ... 2 targets DB00602

Generic name: ivermectin PDB Het Group: IVM
 
5 structures in PDB
Brand name(s): ivermectin b1, ivermectin-luminol, mectizan, sklice, stromectol.
Formula: C95H146O28
IUPAC Formula: (1'R,2r,4'S,5s,6r,8'R,12'S,13'S,20'R,21'R,24'S)-21',24'-Dihydroxy-12'-{[(2r,4s,5s,6s)-5-
{[(2s,4s,5s,6s)-5-Hydroxy-4-Methoxy-6-Methyloxan-2-Yl]oxy}-4-Methoxy-6-Methyloxan-2-Yl]oxy}-
5,11',13',22'-Tetramethyl-6-(Propan-2-Yl)-3',7',19'-Trioxaspiro[oxane-2,6'-
Tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-Tetraen-2'-
One; (1'R,2r,4'S,5s,6r,8'R,12'S,13'S,20'R,21'R,24'S)-6-[(2r)-Butan-2-Yl]-21',24'-Dihydroxy-12'-
{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-5-Hydroxy-4-Methoxy-6-Methyloxan-2-Yl]oxy}-4-Methoxy-6-Methyloxan-
2-Yl]oxy}-5,11',13',22'-Tetramethyl-3',7',19'-Trioxaspiro[oxane-2,6'-
Tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-Tetraen-2'-One
PDB name: (2ae,4e,5'S,6s,6'R,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-Butan-2-Yl]-20,20b-Dihydroxy-
5',6,8,19-Tetramethyl-17-Oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-Tetradecahydro-2h,7h-
Spiro[11,15-Methanofuro[4,3,2-Pq][2,6]benzodioxacyclooctadecine-13,2'-Pyran]-7-Yl 2,6-Dideoxy-4-O-
(2,6-Dideoxy-3-O-Methyl-Alpha-L-Arabino-Hexopyranosyl)-3-O-Methyl-Alpha-L-Arabino-Hexopyranoside

2
There are 2 target proteins defined in DrugBank for this drug.
 1 
1 of these target proteins 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.
Links  
DrugBank
RxList
KEGG drug
PubChem
MSDChem
Ligand Expo
HIC-Up
Information  
Pharmacology
Indication
Action

 

Target proteins

DrugBank drug Target 1:   UniProt id: O75311 (GLRA3_HUMAN)  -  Glycine receptor subunit alpha-3
UniProt id: O75311    464 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: P28472 (GBRB3_HUMAN)  -  Gamma-aminobutyric-acid receptor subunit beta-3
UniProt id: P28472    472 a.a.  
4cof A,B,C,D,E     340 a.a. 309   X-ray 2.97 Å
There are no PDB entries containing ivermectin bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).

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 ivermectin bound in the PDB

There is 1 "non-target" protein in the PDB containing the ivermectin 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: O17793 ()  - 
  No Pfam domain assignments available for this protein.
1. 3rhw A,B,C,D,E   340 a.a. 340   X-ray 3.26 Å
  2. 3rif A,B,C,D,E   340 a.a. 340   X-ray 3.35 Å
  3. 3ri5 A,B,C,D,E   340 a.a. 340   X-ray 3.40 Å
  4. 3ria A,B,C,D,E   340 a.a. 340   X-ray 3.80 Å
The PDB contains 4 entries of ivermectin bound to this protein

Key:    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