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Ligand clusters for UniProt code Q54727

Ligand clusters for Q54727: Sialidase B OS=Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) GN=nanB PE=1 SV=2

Top 6 (of 10) ligand clusters
Cluster 1.
20 ligand types
20 ligands
Cluster 2.
4 ligand types
20 ligands
Cluster 3.
2 ligand types
3 ligands
Cluster 4.
2 ligand types
2 ligands
Cluster 5.
1 ligand type
1 ligand
Cluster 6.
1 ligand type
1 ligand
Representative protein: 2jkbA  
 

Structures

PDB   Schematic diagram
2jkbA    
2vw0A    
4foyA    
4fpcA    
4fq4A    
 more ...

 

 Cluster 1 contains 20 ligand types

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Ligand Description


 
1. Ligand: 0H9 × 1
2-[(4-Methoxybenzyl)amino]ethanesulfonic acid
PDB code: 4fpe(A).


 
2. Ligand: 0V7 × 1
2-[(3-Fluorobenzyl)amino]ethanesulfonic acid
PDB code: 4fph(A).


 
3. Ligand: 0V8 × 1
2-[(3-Bromobenzyl)amino]ethanesulfonic acid
PDB code: 4fpy(A).


 
4. Ligand: 7HV × 1
2-[(3,4-Dichlorobenzyl)amino]ethanesulfonic acid
PDB code: 4fpl(A).


 
5. Ligand: A20 × 1
3-Aminopropane-1-Sulfonic acid
PDB code: 4fow(A).


 
6. Ligand: CXS × 1
3-Cyclohexyl-1-Propylsulfonic acid
PDB code: 4fov(A).


 
7. Ligand: D53 × 1
2-(Benzylamino)ethanesulfonic acid
PDB code: 4foy(A).


 
8. Ligand: D8I × 1
2-[(3-Methoxybenzyl)amino]ethanesulfonic acid
PDB code: 4fpj(A).


 
9. Ligand: DAN × 1
2-Deoxy-2,3-Dehydro-N-Acetyl-Neuraminic acid
PDB code: 2vw1(A).


 
10. Ligand: IH9 × 1
2-[(3-Hydroxybenzyl)amino]ethanesulfonic acid
PDB code: 4fpg(A).


 
11. Ligand: IJ1 × 1
2-[(3-Methylbenzyl)amino]ethanesulfonic acid
PDB code: 4fpk(A).


 
12. Ligand: IJ2 × 1
2-[(Furan-2-Ylmethyl)amino]ethanesulfonic acid
PDB code: 4fp3(A).


 
13. Ligand: IJ4 × 1
2-[(4-Fluoro-3-Methylbenzyl)amino]ethanesulfonic acid
PDB code: 4fq4(A).


 
14. Ligand: IJ6 × 1
2-[(Cyclohexylmethyl)amino]ethanesulfonic acid
PDB code: 4fp2(A).


 
15. Ligand: JKK × 1
2-[(3-Chlorobenzyl)amino]ethanesulfonic acid
PDB code: 4fpf(A).


 
16. Ligand: LL9 × 1
2-[(3-Chloro-4-Methoxybenzyl)amino]ethanesulfonic acid
PDB code: 4fpo(B).


 
17. Ligand: MFY × 1
2-[(4-Chlorobenzyl)amino]ethanesulfonic acid
PDB code: 4fpc(A).


 
18. Ligand: NHE × 1
2-[N-Cyclohexylamino]ethane sulfonic acid
PDB code: 2vw2(A).


 
19. Ligand: SKD × 1
2-Acetylamino-7-(1,2-Dihydroxy-Ethyl)-3- Hydroxy-6,8-Dioxa-Bicyclo[3.2.1]octane-5- Carboxylic acid
PDB code: 2jkb(A).


 
20. Ligand: TAU × 1
2-Aminoethanesulfonic acid
PDB code: 4foq(A).

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 Cluster 2 contains 4 ligand types

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Ligand Description


 
1. Ligand: DMS × 14
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 4foq(A), 4fov(A), 4fow(A), 4foy(A), 4fpe(A), 4fpf(A), 4fpg(A), 4fph(A), 4fpj(A), 4fpk(A), 4fpl(A), 4fpo(B), 4fpy(A), 4fq4(A).


 
2. Ligand: GOL × 4
Glycerol
PDB codes: 2vw0(A), 2vw2(A), 4fpc(A).


 
3. Ligand: EDO × 1
1,2-Ethanediol
PDB code: 2jkb(A).


 
4. Ligand: NHE × 1
2-[N-Cyclohexylamino]ethane sulfonic acid
PDB code: 2vw2(A).

 

 Cluster 3 contains 2 ligand types

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Ligand Description


 
1. Ligand: DMS × 2
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 4foq(A), 4fpf(A).


 
2. Ligand: EDO × 1
1,2-Ethanediol
PDB code: 2jkb(A).

 

 Cluster 4 contains 2 ligand types

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Ligand Description


 
1. Ligand: DMS × 1
dimethyl sulfoxide
Dimethyl sulfoxide
PDB code: 4foy(A).


 
2. Ligand: EDO × 1
1,2-Ethanediol
PDB code: 2jkb(A).

 

 Cluster 5 contains 1 ligand type

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Ligand Description


 
1. Ligand: GOL × 1
Glycerol
PDB code: 2vw1(A).

 

 Cluster 6 contains 1 ligand type

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Ligand Description


 
1. Ligand: EDO × 1
1,2-Ethanediol
PDB code: 2jkb(A).

 

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