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EBI Databases Structure Databases PDBsum

Ligand clusters for UniProt code P08246

Ligand clusters for P08246: Neutrophil elastase from Homo sapiens

Top 6 (of 20) ligand clusters
Cluster 1.
23 ligand types
29 ligands
 Cluster 2.
8 ligand types
20 ligands
 Cluster 3.
6 ligand types
22 ligands
 Cluster 4.
3 ligand types
3 ligands
 Cluster 5.
1 ligand type
1 ligand
 Cluster 6.
1 ligand type
1 ligand
Representative protein: 1b0fA  
JSmol
 

Structures

PDB   Schematic diagram
1b0fA    
5a8zA    
6e69A    
1ppgE    
1h1bA    
 more ...

 

 Cluster 1 contains 23 ligand types (of which only 20 are listed. Click for all)

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Ligand Description


 
1. Ligand: DMS × 1
dimethyl sulfoxide
Dimethyl sulfoxide
PDB code: 5a0b(A).


 
2. Ligand: SO4 × 3
Sulfate ion
PDB codes: 3q76(A), 7cbk(D).


 
3. Ligand: CQH × 2
5-[[4-[[(2~{s})-4-Methyl-1-Oxidanylidene-1-[(2- Propylphenyl)amino]pentan-2-
Yl]carbamoyl]phenyl]methyl]-2-Oxidanylidene-1,3- Thiazol-1-Ium-4-Olate
PDB codes: 6f5m(A),


 
4. Ligand: JJV × 2
(6s)-6-(4-Cyano-2-Methylsulfonyl-Phenyl)-4-Methyl-2- Oxidanylidene-3-[3-(Trifluoromethyl)phenyl]-
1,6- Dihydropyrimidine-5-Carbonitrile
PDB codes: 5a0c(A),


 
5. Ligand: MES × 2
2-(N-Morpholino)-Ethanesulfonic acid
PDB codes: 5a0c(A),

_Cl
 
6. Metal: _CL × 2
PDB codes: 5abw(A),


 
7. Ligand: 151 × 1
(2s)-3-Methyl-2-((2r,3s)-3-[(Methylsulfonyl)amino]-1- {[2-(Pyrrolidin-1-Ylmethyl)-1,3-Oxazol-4-
Yl]carbonyl}pyrrolidin-2-Yl)butanoic acid
PDB code: 1h1b(A).


 
8. Ligand: 2HY × 1
2-Hydroxyethyl (4r)-4-(4-Cyanophenyl)-6-Methyl-2-Oxo-1- [3-(Trifluoromethyl)phenyl]-1,2,3,4-
Tetrahydropyrimidine-5-Carboxylate
PDB code: 3q77(A).


 
9. Ligand: ACT × 1
Acetate ion
PDB code: 6f5m(A).


 
10. Ligand: BTN-3V3-NLB-OMT-OIC-3V2 × 1
BTN=Biotin, 3V3=1-Amino-3,6,9,12-Tetraoxapentadecan-15-Oic acid, NLB=6-(Benzyloxy)-L-Norleucine, OMT=S-Dioxymethionine, OIC=Octahydroindole-2-Carboxylic acid, 3V2=[(1r)-1-Aminopropyl]phosphonic acid.
PDB code: 4wvp(E).


 
11. Ligand: HMB-ALA-ALA-PRO-VAI-0QE × 1
HMB=(4s)-4-Hydroxy-4-Methoxybutanoic acid, VAI=(2s)-2-Amino-3-Methylbutane-1,1-Diol, 0QE=Chloromethane.
PDB code: 1ppg(E).


 
12. Ligand: HVP × 1
2-(Fluorosulfonyl)benzene-1-Sulfonic acid
PDB code: 6e69(A).


 
13. Ligand: IUL × 1
4-[(4r)-7-Methyl-2,5-Bis(oxidanylidene)-1-[3- (Trifluoromethyl)phenyl]-3,4,6,8-
Tetrahydropyrimido[4, 5-D]pyridazin-4-Yl]benzenecarbonitrile
PDB code: 5a8z(A).


 
14. Ligand: IUY × 1
Ethyl (5r)-5-(4-Cyanophenyl)-7-Methyl-8-[3- (Trifluoromethyl)phenyl]-1,5-Dihydroimidazo[1,2-
A]pyrimidin-4-Ium-6-Carboxylate
PDB code: 5a8x(A).


 
15. Ligand: JJD × 1
2-[(4r)-4-(4-Cyanophenyl)-5-Ethanoyl-6-Methyl-2- Oxidanylidene-1-[3-(Trifluoromethyl)phenyl]-4h-
Pyrimidin-3-Yl]ethanoic acid
PDB code: 5a09(A).


 
16. Ligand: JJS × 1
5-[(6r)-5-Ethanoyl-4-Methyl-2-Oxidanylidene-3-[3- (Trifluoromethyl)phenyl]-1,6-Dihydropyrimidin-6-
Yl]pyridine-2-Carbonitrile
PDB code: 5a0a(E).


 
17. Ligand: JJX × 1
(4r)-4-(4-Cyanophenyl)-6-Methyl-2-Oxidanylidene-3-[2- Oxidanylidene-2-(4-Propan-2-Ylpiperazin-1-
Yl)ethyl]-1- [3-(Trifluoromethyl)phenyl]-4h-Pyrimidine-5- Carbonitrile
PDB code: 5a0b(A).


 
18. Ligand: MLI × 1
Malonate ion
PDB code: 5a8y(A).


 
19. Ligand: MSU-ALA-ALA-PRO-ALV-0QE × 1
MSU=Succinic acid monomethyl ester, ALV=(2s)-2-Aminopropane-1,1-Diol, 0QE=Chloromethane.
PDB code: 1hne(E).


 
20. Ligand: SEI × 1
1-{3-Methyl-2-[4-(Morpholine-4-Carbonyl)-Benzoylamino]- Butyryl}-Pyrrolidine-2-
Carboxylic acid (3,3,4,4,4- Pentafluoro-1-Isopropyl-2-Oxo-Butyl)-Amide
PDB code: 1b0f(A).

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 Cluster 2 contains 8 ligand types

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Ligand Description


 
1. Ligand: NAG × 2
n-acetylglucosamine
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose
PDB codes: 3q76(A), 3q77(A).


 
2. Ligand: NAG-FUC × 9
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose.
PDB codes: 1h1b(A), 2z7f(E), 5a09(A), 5a0a(E), 5a0b(A), 5a0c(A), 5a8x(A), 5a8y(A), 5a8z(A).


 
3. Ligand: NAG-NAG-FUC × 4
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose.
PDB codes: 1b0f(A), 4wvp(E), 6sma(A), 7cbk(D).


 
4. Ligand: NAG-NAG × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose.
PDB code: 6e69(A).


 
5. Ligand: NAG-NAG-BMA-BMA-NDG-GLC-MAN-FUC × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose, FUC=Alpha-L-Fucopyranose, NDG=2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose, GLC=Alpha-D-Glucopyranose.
PDB code: 1ppg(E).


 
6. Ligand: NAG-NAG-BMA-FUC × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, FUC=Alpha-L-Fucopyranose.
PDB code: 6f5m(A).


 
7. Ligand: NAG-NAG-BMA-FUL × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, FUL=Beta-L-Fucopyranose.
PDB code: 4nzl(A).


 
8. Ligand: NAG-NAG-BMA-MAN-NAG-GLC-MAN-FUC × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose, FUC=Alpha-L-Fucopyranose, GLC=Alpha-D-Glucopyranose.
PDB code: 1ppf(E).

 

 Cluster 3 contains 6 ligand types

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Ligand Description


 
1. Ligand: NAG-NAG-FUC × 10
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose.
PDB codes: 1b0f(A), 2rg3(A), 3q76(A), 3q77(A), 5a0c(A), 5a8y(A), 5abw(A), 6e69(A), 6sma(A), 7cbk(D).


 
2. Ligand: NAG-FUC × 7
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose.
PDB codes: 1h1b(A), 2z7f(E), 5a09(A), 5a0a(E), 5a0b(A), 5a8x(A), 5a8z(A).


 
3. Ligand: NAG-NAG-BMA-MAN-NAG-GAL-MAN-FUC × 2
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose, GAL=Beta-D-Galactopyranose, FUC=Alpha-L-Fucopyranose.
PDB codes: 1ppf(E), 1ppg(E).


 
4. Ligand: NAG-NAG-BMA-FUC × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, FUC=Alpha-L-Fucopyranose.
PDB code: 4wvp(E).


 
5. Ligand: NAG-NAG-BMA-FUL × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, FUL=Beta-L-Fucopyranose.
PDB code: 4nzl(A).


 
6. Ligand: NAG-NAG-BMA-MAN-FUC × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose, FUC=Alpha-L-Fucopyranose.
PDB code: 6f5m(A).

 

 Cluster 4 contains 3 ligand types

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Ligand Description


 
1. Ligand: EPE × 1
4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid
PDB code: 5a0a(E).


 
2. Ligand: MES × 1
2-(N-Morpholino)-Ethanesulfonic acid
PDB code: 5a8y(A).


 
3. Ligand: SO4 × 1
Sulfate ion
PDB code: 3q76(A).

 

 Cluster 5 contains 1 ligand type

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Ligand Description


 
1. Ligand: EPE × 1
4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid
PDB code: 2rg3(A).

 

 Cluster 6 contains 1 ligand type

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Ligand Description


 
1. Ligand: HVP × 1
2-(Fluorosulfonyl)benzene-1-Sulfonic acid
PDB code: 6e69(A).

 

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