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Ligand clusters for UniProt code Q4WQS0

Ligand clusters for Q4WQS0: Extracellular sialidase/neuraminidase, putative OS=Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100) GN=AFUA_4G13800 PE=1 SV=2

Top 6 (of 8) ligand clusters
Cluster 1.
4 ligand types
5 ligands
Cluster 2.
2 ligand types
2 ligands
Cluster 3.
1 ligand type
1 ligand
Cluster 4.
1 ligand type
1 ligand
Cluster 5.
1 ligand type
3 ligands
Cluster 6.
1 ligand type
1 ligand
Representative protein: 2xcyA  
 

Structures

PDB   Schematic diagram
2xcyA    
2xzjA    
2xziA    
2xzkA    

 

 Cluster 1 contains 4 ligand types

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Ligand Description

_Cl
 
1. Metal: _CL × 2
PDB codes: 2xcy(A), 2xzk(A).


 
2. Ligand: FKD × 1
2,6-Anhydro-3-Deoxy-3-Fluoro-L-Arabino-D- Galacto-Nononic acid
PDB code: 2xzk(A).


 
3. Ligand: KDM × 1
(2r,4s,5r,6r)-2,4,5-Trihydroxy-6-[(1r,2r)-1, 2,3-Trihydroxypropyl]oxane-2-Carboxylic-Acid
PDB code: 2xzi(A).


 
4. Ligand: KFN × 1
(4s,5r,6r)-4,5-Dihydroxy-6-[(1r,2r)-1,2,3- Trihydroxypropyl]-5,6-Dihydro-4h-Pyran-2-
Carboxylic acid
PDB code: 2xzj(A).

 

 Cluster 2 contains 2 ligand types

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Ligand Description


 
1. Ligand: K99 × 1
(2r,3r,4r,5r,6s)-2,3-Difluoro-4,5-Dihydroxy- 6-[(1r,2r)-1,2,3-Trihydroxypropyl]oxane-2-
Carboxylic acid
PDB code: 2xzk(A).


 
2. Ligand: KDM × 1
(2r,4s,5r,6r)-2,4,5-Trihydroxy-6-[(1r,2r)-1, 2,3-Trihydroxypropyl]oxane-2-Carboxylic-Acid
PDB code: 2xzi(A).

 

 Cluster 3 contains 1 ligand type

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Ligand Description


 
1. Ligand: K99 × 1
(2r,3r,4r,5r,6s)-2,3-Difluoro-4,5-Dihydroxy- 6-[(1r,2r)-1,2,3-Trihydroxypropyl]oxane-2-
Carboxylic acid
PDB code: 2xzk(A).

 

 Cluster 4 contains 1 ligand type

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Ligand Description


 
1. Ligand: K99 × 1
(2r,3r,4r,5r,6s)-2,3-Difluoro-4,5-Dihydroxy- 6-[(1r,2r)-1,2,3-Trihydroxypropyl]oxane-2-
Carboxylic acid
PDB code: 2xzk(A).

 

 Cluster 5 contains 1 ligand type

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Ligand Description


 
1. Ligand: GOL × 3
Glycerol
PDB codes: 2xcy(A), 2xzi(A), 2xzk(A).

 

 Cluster 6 contains 1 ligand type

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Ligand Description


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

 

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