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Ligand clusters for UniProt code P0A2K1

Ligand clusters for P0A2K1: Tryptophan synthase beta chain OS=Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) GN=trpB PE=1 SV=2

Top 6 (of 23) ligand clusters
Cluster 1.
18 ligand types
60 ligands
Cluster 2.
3 ligand types
11 ligands
Cluster 3.
5 ligand types
11 ligands
Cluster 4.
3 ligand types
9 ligands
Cluster 5.
3 ligand types
3 ligands
Cluster 6.
3 ligand types
5 ligands
Representative protein: 2cleB  
 

Structures

PDB   Schematic diagram
2cleB    
1k8zB    
1c8vB    
1ttpB    
1bksB    
 more ...

 

 Cluster 1 contains 18 ligand types

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Ligand Description


 
1. Ligand: PLT × 1
[3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4- Ylmethyl]-L-Tryptophane
PDB code: 2tys(B).


 
2. Ligand: PLP × 32
Pyridoxal-5'-Phosphate
PDB codes: 1a50(B), 1a5a(B), 1a5b(B), 1bks(B), 1c29(B), 1c8v(B), 1c9d(B), 1cw2(B), 1cx9(B), 1fuy(B), 1k3u(B), 1k7e(B), 1k7f(B), 1k7x(B), 1k8x(B), 1k8y(B), 1k8z(B), 1kfb(B), 1kfc(B), 1kfk(B), 1qop(B), 1qoq(B), 1tjp(B), 2cle(B), 2clf(B), 2clh(B), 2cli(B), 2clk(B), 2j9z(B), 2rh9(B), 2rhg(B), 2wsy(B).


 
3. Ligand: PLS × 7
[3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4- Ylmethyl]-Serine
PDB codes: 1beu(B), 1kfe(B), 1kfj(B), 2cll(B), 2clm(B), 2clo(B), 2trs(B).


 
4. Ligand: F6F × 1
2-{[4-(Trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate
PDB code: 2clf(B).


 
5. Ligand: P1T × 1
2-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy) methyl]pyridin-4-Yl}methyl)amino]acrylic acid
PDB code: 2j9x(B).


 
6. Ligand: PLP × 4
Pyridoxal-5'-Phosphate
PDB codes: 1ttp(B), 1ttq(B), 1wbj(B), 4ht3(B).


 
7. Ligand: PLS × 1
[3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4- Ylmethyl]-Serine
PDB code: 2tsy(B).


 
8. Ligand: 0JO × 2
2-{[(E)-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy) methyl]pyridin-4-Yl}methylidene]amino}prop-2-
Enoic acid
PDB codes: 4hn4(B), 4hpx(B).


 
9. Ligand: EDO × 2
1,2-Ethanediol
PDB codes: 4ht3(B),


 
10. Ligand: 1D0 × 1
(2e)-2-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy) methyl]pyridin-4-Yl}methyl)imino]-3-[(2-
Hydroxyphenyl)amino]propanoic acid
PDB code: 4hpj(B).


 
11. Ligand: 7MN × 1
(Z)-N-[(1e)-1-Carboxy-2-(2,3-Dihydro-1h-Indol-1-Yl) ethylidene]{3-Hydroxy-2-Methyl-5-
[(Phosphonooxy) methyl]pyridin-4(1h)-Ylidene}methanaminium
PDB code: 3pr2(B).


 
12. Ligand: AQ3 × 1
N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin- 4-Yl}methyl)-3-[(2-Hydroxyphenyl)amino]-D-
Alanine
PDB code: 4kkx(B).


 
13. Ligand: BZI × 1
Benzimidazole
PDB code: 4hpx(B).


 
14. Ligand: FOO × 1
(3e)-4-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy) methyl]pyridin-4-Yl}-2-Iminobut-3-Enoic acid
PDB code: 2j9y(B).


 
15. Ligand: PLP-MH6-IDM × 1
IDM=Indoline, PLP=Pyridoxal-5'-Phosphate, MH6=3-Hydroxy-2-Iminopropanoic acid.
PDB code: 3cep(B).


 
16. Ligand: PLP-SER × 1
PLP=Pyridoxal-5'-Phosphate.
PDB code: 1a5s(B).


 
17. Ligand: SER-PLP × 1
PLP=Pyridoxal-5'-Phosphate.
PDB code: 1ubs(B).

_Na
 
18. Metal: _NA × 1
PDB code: 4kkx(B).

 

 Cluster 2 contains 3 ligand types

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Ligand Description


 
1. Ligand: F6F × 3
2-{[4-(Trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate
PDB codes: 2cle(B), 2clf(B), 2clm(B).


 
2. Ligand: F9F × 7
2-({[4-(Trifluoromethoxy)phenyl]sulfonyl} amino)ethyl dihydrogen phosphate
PDB codes: 2cli(B), 2cll(B), 3pr2(B), 4hn4(B), 4hpj(B), 4hpx(B), 4ht3(B).


 
3. Ligand: F6F × 1
2-{[4-(Trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate
PDB code: 4kkx(B).

 

 Cluster 3 contains 5 ligand types

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Ligand Description


 
1. Ligand: DMS × 1
dimethyl sulfoxide
Dimethyl sulfoxide
PDB code: 2j9x(B).

_Cs
 
2. Metal: _CS × 4
PDB codes: 1ttp(B), 2j9x(B), 3cep(B), 3pr2(B).


 
3. Ligand: PEG × 3
Di(hydroxyethyl)ether
PDB codes: 4hn4(B), 4hpj(B), 4hpx(B).


 
4. Ligand: PGE × 2
Triethylene glycol
PDB codes: 4ht3(B), 4kkx(B).


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

 

 Cluster 4 contains 3 ligand types

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Ligand Description


 
1. Ligand: PEG × 4
Di(hydroxyethyl)ether
PDB codes: 4hn4(B), 4hpj(B), 4hpx(B),


 
2. Ligand: BCN × 3
Bicine
PDB codes: 4hn4(B), 4hpx(B), 4ht3(B).


 
3. Ligand: EDO × 2
1,2-Ethanediol
PDB codes: 4ht3(B),

 

 Cluster 5 contains 3 ligand types

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Ligand Description


 
1. Ligand: EDO × 1
1,2-Ethanediol
PDB code: 4ht3(B).


 
2. Ligand: PEG × 1
Di(hydroxyethyl)ether
PDB code: 4ht3(B).


 
3. Ligand: PGE × 1
Triethylene glycol
PDB code: 4kkx(B).

 

 Cluster 6 contains 3 ligand types

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Ligand Description


 
1. Ligand: PEG × 3
Di(hydroxyethyl)ether
PDB codes: 4hn4(B), 4hpj(B), 4ht3(B).


 
2. Ligand: BZI × 1
Benzimidazole
PDB code: 4hpx(B).


 
3. Ligand: EDO × 1
1,2-Ethanediol
PDB code: 4kkx(B).

 

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