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EBI Databases Structure Databases PDBsum

Ligand clusters for UniProt code P22734

Ligand clusters for P22734: Catechol O-methyltransferase from Rattus norvegicus

Top 6 (of 21) ligand clusters
Cluster 1.
101 ligand types
342 ligands
 Cluster 2.
5 ligand types
5 ligands
 Cluster 3.
3 ligand types
6 ligands
 Cluster 4.
3 ligand types
11 ligands
 Cluster 5.
1 ligand type
1 ligand
 Cluster 6.
1 ligand type
1 ligand
Representative protein: 5k0jA  
JSmol
 

Structures

PDB   Schematic diagram
5k0jA    
3nweA    
3hvhA    
5pa6A    
5lqnA    
 more ...

 

 Cluster 1 contains 101 ligand types (of which only 20 are listed. Click for all)

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Ligand Description

_Mg
 
1. Metal: _MG × 71
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), 5p8x(A), 5p8y(A), 5p8z(A), 5p90(A), 5p91(A), 5p92(A), 5p93(A), 5p94(A), 5p95(A), 5p96(A), 5p97(A), 5p98(A), 5p99(A), 5p9a(A), 5p9b(A), 5p9c(A), 5p9d(A), 5p9e(A), 5p9n(A), 5p9o(A), 5p9p(A), 5p9q(A), 5p9r(A), 5p9s(A), 5p9t(A), 5p9u(A), 5p9v(A), 5p9w(A), 5p9x(A), 5p9y(A), 5p9z(A), 5pa0(A), 5pa1(A), 5pa2(A), 5pa3(A), 5pa4(A), 5pa5(A), 5pa6(A), 5pa7(A), 6gy1(A).


 
2. Ligand: SAM × 9
ademetionine
S-Adenosylmethionine
PDB codes: 1h1d(A), 1vid(A), 2cl5(A), 2zth(A), 2zvj(A), 3s68(A), 5fhq(A), 5fhr(A), 6lfe(A).

__K
 
3. Metal: __K × 6
PDB codes: 4p7k(A), 4pyn(A), 5k09(A), 5p9a(A), 5p9c(A), 5p9d(A).


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


 
5. Ligand: DMS × 1
dimethyl sulfoxide
Dimethyl sulfoxide
PDB code: 5p9p(A).


 
6. Ligand: IPA × 1
isopropyl alcohol
Isopropyl alcohol
PDB code: 6lfe(A).


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


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


 
9. 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).


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


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


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


 
13. Ligand: NHE × 39
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), 5p8x(A), 5p8y(A), 5p8z(A), 5p90(A), 5p92(A), 5p95(A), 5p97(A), 5p98(A), 5p9b(A), 5p9o(A), 5p9t(A), 5p9w(A), 5p9x(A), 5pa6(A).

_Cl
 
14. Metal: _CL × 31
PDB codes: 3hvk(A), 3nw9(A), 3nwb(A), 3nwe(A), 3ozr(A), 3r6t(A), 4pyn(A), 5k0e(A), 5lqa(A), 5lqk(A), 5lqr(A), 5p8x(A), 5p8y(A), 5p8z(A), 5p90(A), 5p91(A), 5p92(A), 5p93(A), 5p95(A), 5p96(A), 5p97(A), 5p98(A), 5p99(A), 5p9b(A), 5p9e(A), 5p9w(A), 5p9x(A).


 
15. Ligand: SO4 × 26
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), 5p94(A), 5p96(A), 5p97(A), 5p9c(A), 5p9o(A), 5p9q(A), 5p9w(A), 5pa0(A), 5pa1(A), 5pa5(A).


 
16. Ligand: SAH × 21
S-Adenosyl-L-Homocysteine
PDB codes: 3u81(A), 4pyn(A), 4pyo(A), 5p9o(A), 5p9p(A), 5p9q(A), 5p9r(A), 5p9s(A), 5p9t(A), 5p9u(A), 5p9v(A), 5p9z(A), 5pa0(A), 5pa1(A), 5pa2(A), 5pa3(A), 5pa4(A), 5pa5(A), 5pa6(A), 5pa7(A), 6gy1(A).


 
17. Ligand: D1D × 19
(4s,5s)-1,2-Dithiane-4,5-Diol
PDB codes: 5p8x(A), 5p8y(A), 5p8z(A), 5p90(A), 5p92(A), 5p95(A), 5p98(A), 5p9a(A), 5p9c(A), 5p9d(A), 5p9e(A), 5p9q(A), 5p9t(A), 5p9v(A), 5p9w(A), 5p9z(A), 5pa2(A), 5pa3(A), 5pa5(A).

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


 
19. Ligand: CXS × 4
3-Cyclohexyl-1-Propylsulfonic acid
PDB codes: 3hvh(A), 5p9v(A), 5pa0(A),


 
20. 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).

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 Cluster 2 contains 5 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: 72N × 1
3-Cyclopropyl-5-Methyl-4-Phenyl-1,2,4-Triazole
PDB code: 5lqj(A).


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


 
4. Ligand: EDO × 1
1,2-Ethanediol
PDB code: 5k0b(A).


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

 

 Cluster 3 contains 3 ligand types

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Ligand Description


 
1. Ligand: CXS × 3
3-Cyclohexyl-1-Propylsulfonic acid
PDB codes: 3hvh(A), 5p9v(A), 5pa0(A).


 
2. Ligand: NHE × 2
2-[N-Cyclohexylamino]ethane sulfonic acid
PDB codes: 5p9b(A), 5p9y(A).


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

 

 Cluster 4 contains 3 ligand types

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Ligand Description


 
1. Ligand: IPA × 1
isopropyl alcohol
Isopropyl alcohol
PDB code: 6lfe(A).


 
2. Ligand: NHE × 7
2-[N-Cyclohexylamino]ethane sulfonic acid
PDB codes: 3nwe(A), 5p91(A), 5p93(A), 5p94(A), 5p99(A), 5p9p(A), 5pa2(A).


 
3. Ligand: D1D × 3
(4s,5s)-1,2-Dithiane-4,5-Diol
PDB codes: 3hvi(A), 5p99(A), 5p9p(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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