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Ligand clusters for UniProt code P31224

Ligand clusters for P31224: Acriflavine resistance protein B OS=Escherichia coli (strain K12) GN=acrB PE=1 SV=1

Top 6 (of 19) ligand clusters
Cluster 1.
7 ligand types
8 ligands
Cluster 2.
6 ligand types
7 ligands
Cluster 3.
2 ligand types
3 ligands
Cluster 4.
2 ligand types
11 ligands
Cluster 5.
2 ligand types
3 ligands
Cluster 6.
1 ligand type
4 ligands
Representative protein: 3d9bA  
 

Structures

PDB   Schematic diagram
3d9bA    
2j8sA    
4dx5A    
4dx7A    
4dx6A    
 more ...

 

 Cluster 1 contains 7 ligand types

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Ligand Description


 
1. Ligand: AIC × 2
ampicillin
(2s,5r,6r)-6-{[(2r)-2-Amino-2-Phenylethanoyl]amino}-3, 3-Dimethyl-7-Oxo-4-Thia-1-
Azabicyclo[3.2.0]heptane-2- Carboxylic acid
PDB codes: 2rdd(A),


 
2. Ligand: CPF × 1
ciprofloxacin
1-Cyclopropyl-6-Fluoro-4-Oxo-7-Piperazin-1-Yl-1,4- Dihydroquinoline-3-Carboxylic acid
PDB code: 1t9u(A).


 
3. Ligand: NFN × 1
nafcillin
6-[[(2-Ethoxy-1-Naphthalenyl)carbonyl]amino]-3,3- Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]heptane-
2- Carboxylate
PDB code: 1t9w(A).


 
4. Ligand: ZLD × 1
linezolid
N-{[(5s)-3-(3-Fluoro-4-Morpholin-4-Ylphenyl)-2-Oxo-1,3- Oxazolidin-5-Yl]methyl}acetamide
PDB code: 4k7q(A).


 
5. Ligand: DEQ × 1
Dequalinium
PDB code: 1oyd(A).


 
6. Ligand: MC2 × 1
N2-(L-Phenylalanyl)-N1-(Naphthalenyl)-L-Arigninamide
PDB code: 1t9y(A).


 
7. Ligand: RHQ × 1
Rhodamine 6g
PDB code: 1t9v(A).

 

 Cluster 2 contains 6 ligand types

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Ligand Description


 
1. Ligand: DM2 × 2
doxorubicin
Doxorubicin
PDB codes: 4dx7(A),


 
2. Ligand: CPF × 1
ciprofloxacin
1-Cyclopropyl-6-Fluoro-4-Oxo-7-Piperazin-1-Yl-1,4- Dihydroquinoline-3-Carboxylic acid
PDB code: 1t9u(A).


 
3. Ligand: NFN × 1
nafcillin
6-[[(2-Ethoxy-1-Naphthalenyl)carbonyl]amino]-3,3- Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]heptane-
2- Carboxylate
PDB code: 1t9w(A).


 
4. Ligand: DXC × 1
(3alpha,5beta,12alpha)-3,12-Dihydroxycholan- 24-Oic acid
PDB code: 2w1b(A).


 
5. Ligand: MC2 × 1
N2-(L-Phenylalanyl)-N1-(Naphthalenyl)-L-Arigninamide
PDB code: 1t9y(A).


 
6. Ligand: RHQ × 1
Rhodamine 6g
PDB code: 1t9v(A).

 

 Cluster 3 contains 2 ligand types

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Ligand Description


 
1. Ligand: MIY × 2
minocycline
(4s,4as,5ar,12as)-4,7-Bis(dimethylamino)-3,10,12,12a- Tetrahydroxy-1,11-Dioxo-1,4,4a,5,5a,6,11,12a-
Octahydrotetracene-2-Carboxamide
PDB codes: 2drd(A), 3aod(A).


 
2. Ligand: DM2 × 1
doxorubicin
Doxorubicin
PDB code: 2dr6(A).

 

 Cluster 4 contains 2 ligand types

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Ligand Description


 
1. Ligand: LMT × 10
Dodecyl-Beta-D-Maltoside
PDB codes: 2j8s(A), 4dx5(A), 4dx6(A), 4dx7(A),


 
2. Ligand: LMU × 1
Dodecyl-Alpha-D-Maltoside
PDB code: 2j8s(A).

 

 Cluster 5 contains 2 ligand types

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Ligand Description


 
1. Ligand: D12 × 2
Dodecane
PDB codes: 4dx5(A), 4dx7(A).


 
2. Ligand: LMT × 1
Dodecyl-Beta-D-Maltoside
PDB code: 2j8s(A).

 

 Cluster 6 contains 1 ligand type

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Ligand Description


 
1. Ligand: LMT × 4
Dodecyl-Beta-D-Maltoside
PDB codes: 2j8s(A), 4dx5(A), 4dx6(A), 4dx7(A).

 

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