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Ligand clusters for UniProt code P22734

Ligand clusters for P22734: Catechol O-methyltransferase OS=Rattus norvegicus GN=Comt PE=1 SV=2

Top 6 (of 21) ligand clusters
Cluster 1.
53 ligand types
157 ligands
Cluster 2.
3 ligand types
3 ligands
Cluster 3.
2 ligand types
2 ligands
Cluster 4.
2 ligand types
2 ligands
Cluster 5.
1 ligand type
1 ligand
Cluster 6.
1 ligand type
1 ligand
Representative protein: 5k0jA  
 

Structures

PDB   Schematic diagram
5k0jA    
3nweA    
3hvhA    
5lqnA    
5k0gA    
 more ...

 

 Cluster 1 contains 53 ligand types (of which only 20 are listed. Click for all)

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Ligand Description


 
1. Ligand: SAM × 8
s-adenosylmethionine
S-Adenosylmethionine
PDB codes: 1h1d(A), 1vid(A), 2cl5(A), 2zth(A), 2zvj(A), 3s68(A), 5fhq(A), 5fhr(A).


 
2. Ligand: TCW × 2
tolcapone
Tolcapone
PDB codes: 3s68(A), 4pyl(A).


 
3. Ligand: ACT × 1
acetic acid
Acetate ion
PDB code: 4pyq(A).


 
4. Ligand: DNC × 1
3,5-Dinitrocatechol
PDB code: 1vid(A).


 
5. Ligand: BIE × 1
(3,4-Dihydroxy-2-Nitrophenyl)(phenyl) methanone
PDB code: 2cl5(A).


 
6. Ligand: CL4 × 1
N-{3-[5-(6-Amino-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydro- Furan-2-Yl]-Allyl}-2,3-Dihydroxy-5-Nitro-
Benzamide
PDB code: 1jr4(A).


 
7. Ligand: BU3 × 3
(R,R)-2,3-Butanediol
PDB codes: 2cl5(A),


 
8. Ligand: BIA × 1
1-(3,4,Dihydroxy-5-Nitrophenyl)-3-{4-[3- (Trifluoromethyl) phenyl] piperazin-1-Yl}propan-1-One
PDB code: 1h1d(A).


 
9. Ligand: MES × 1
2-(N-Morpholino)-Ethanesulfonic acid
PDB code: 2cl5(A).

_Mg
 
10. Metal: _MG × 31
PDB codes: 1h1d(A), 1jr4(A), 1vid(A), 2cl5(A), 2zth(A), 2zvj(A), 3a7d(A), 3hvh(A), 3hvi(A), 3hvj(A), 3hvk(A), 3nw9(A), 3nwb(A), 3nwe(A), 3oe4(A), 3oe5(A), 3ozr(A), 3ozs(A), 3ozt(A), 3r6t(A), 3s68(A), 4pyl(A), 5fhq(A), 5fhr(A), 5k0l(A), 5k0n(A), 5lqa(A), 5lqc(A), 5lqk(A), 5lqr(A), 5lqu(A).


 
11. Ligand: NHE × 22
2-[N-Cyclohexylamino]ethane sulfonic acid
PDB codes: 3hvk(A), 3nw9(A), 3nwb(A), 3r6t(A), 5k0c(A), 5k0e(A), 5k0f(A), 5k0g(A), 5k0j(A), 5k0l(A), 5k0n(A), 5lqa(A), 5lqk(A), 5lqr(A), 5lr6(A),


 
12. Ligand: SO4 × 14
Sulfate ion
PDB codes: 2zlb(A), 3a7d(A), 3hvh(A), 3nwb(A), 3nwe(A), 3r6t(A), 3s68(A), 4p7j(A), 4pym(A), 4pyq(A), 5k05(A), 5lqa(A).

_Cl
 
13. Metal: _CL × 13
PDB codes: 3hvk(A), 3nw9(A), 3nwb(A), 3nwe(A), 3ozr(A), 3r6t(A), 4pyn(A), 5k0e(A), 5lqa(A), 5lqk(A), 5lqr(A).

_Na
 
14. Metal: _NA × 5
PDB codes: 5k0c(A), 5k0f(A), 5k0g(A), 5k0j(A), 5p8w(A).


 
15. Ligand: 619 × 3
N-[(E)-3-[(2r,3s,4r,5r)-5-(6-Ethylaminopurin-9-Yl)-3,4- Dihydroxy-Oxolan-2-Yl]prop-2-Enyl]-5-(4-
Fluorophenyl)- 2,3-Dihydroxy-Benzamide
PDB codes: 3hvi(A), 5lqa(A), 5lqu(A).


 
16. Ligand: DNC × 2
3,5-Dinitrocatechol
PDB codes: 5fhq(A), 5fhr(A).


 
17. Ligand: SAH × 3
S-Adenosyl-L-Homocysteine
PDB codes: 3u81(A), 4pyn(A), 4pyo(A).

__K
 
18. Metal: __K × 3
PDB codes: 4p7k(A), 4pyn(A), 5k09(A).


 
19. Ligand: 542 × 2
N-[(E)-3-[(2r,3s,4r,5r)-3,4-Dihydroxy-5-(6- Methylaminopurin-9-Yl)oxolan-2-Yl]prop-2-Enyl]-5-(4-
Fluorophenyl)-2,3-Dihydroxy-Benzamide
PDB codes: 3hvh(A), 5lqc(A).


 
20. Ligand: 6OZ × 2
2,4-Dimethyl-5-[3-(2-Phenylpropan-2-Yl)-1h-Pyrazol-5- Yl]-1,3-Thiazole
PDB codes: 5k0c(A), 5k0e(A).

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 Cluster 2 contains 3 ligand types

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Ligand Description


 
1. Ligand: 6PQ × 1
5-{3-[(4-Methoxyphenyl)methyl]-1h-Pyrazol-5-Yl}-2,4- Dimethyl-1,3-Thiazole
PDB code: 5k09(A).


 
2. Ligand: CXS × 1
3-Cyclohexyl-1-Propylsulfonic acid
PDB code: 5k0b(A).


 
3. Ligand: PO4 × 1
Phosphate ion
PDB code: 5k0b(A).

 

 Cluster 3 contains 2 ligand types

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Ligand Description


 
1. Ligand: CXS × 1
3-Cyclohexyl-1-Propylsulfonic acid
PDB code: 3hvh(A).


 
2. Ligand: DTD × 1
Dithiane diol
PDB code: 3r6t(A).

 

 Cluster 4 contains 2 ligand types

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Ligand Description


 
1. Ligand: D1D × 1
(4s,5s)-1,2-Dithiane-4,5-Diol
PDB code: 3hvi(A).


 
2. Ligand: NHE × 1
2-[N-Cyclohexylamino]ethane sulfonic acid
PDB code: 3nwe(A).

 

 Cluster 5 contains 1 ligand type

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Ligand Description


 
1. Ligand: 6PQ × 1
5-{3-[(4-Methoxyphenyl)methyl]-1h-Pyrazol-5-Yl}-2,4- Dimethyl-1,3-Thiazole
PDB code: 5k09(A).

 

 Cluster 6 contains 1 ligand type

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Ligand Description


 
1. Ligand: 6P5 × 1
4-Methyl-2-(4-Methylphenyl)-5-(1h-Pyrazol-5-Yl)-1,3- Thiazole
PDB code: 5k05(A).

 

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