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Ligand clusters for UniProt code O38723

Ligand clusters for O38723: Protease (Fragment) OS=Human immunodeficiency virus 1 GN=pol PE=4 SV=1

5 ligand clusters
Cluster 1.
3 ligand types
3 ligands
Cluster 2.
1 ligand type
2 ligands
Cluster 3.
1 ligand type
2 ligands
Cluster 4.
1 ligand type
1 ligand
Cluster 5.
1 ligand type
1 ligand
Representative protein: 2i0aA  
JSmol
 

Structures

PDB   Schematic diagram
2i0aA    
2psuA    

 

 Cluster 1 contains 3 ligand types

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Ligand Description


 
1. Ligand: GOL × 1
Glycerol
PDB code: 2i0a(A).


 
2. Ligand: MUI × 1
(5s)-3-(4-Acetylphenyl)-N-[(1s,2r)-1-Benzyl-2-Hydroxy- 3-{Isobutyl[(4-
Methoxyphenyl)sulfonyl]amino}propyl]-2- Oxo-1,3-Oxazolidine-5-Carboxamide
PDB code: 2i0a(A).


 
3. Ligand: MUU × 1
N-[(1s,2r)-1-Benzyl-3-{(Cyclopropylmethyl)[(3- Methoxyphenyl)sulfonyl]amino}-2-Hydroxypropyl]-N'-
Methylsuccinamide
PDB code: 2psu(A).

 

 Cluster 2 contains 1 ligand type

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Ligand Description


 
1. Ligand: PO4 × 2
Phosphate ion
PDB codes: 2i0a(A), 2psu(A).

 

 Cluster 3 contains 1 ligand type

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Ligand Description


 
1. Ligand: PO4 × 2
Phosphate ion
PDB codes: 2i0a(A), 2psu(A).

 

 Cluster 4 contains 1 ligand type

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Ligand Description


 
1. Ligand: ACT × 1
acetic acid
Acetate ion
PDB code: 2psu(A).

 

 Cluster 5 contains 1 ligand type

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Ligand Description


 
1. Ligand: ACT × 1
acetic acid
Acetate ion
PDB code: 2psu(A).

 

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