Ligand clusters for UniProt code Q06124

Ligand clusters for Q06124: Tyrosine-protein phosphatase non-receptor type 11 from Homo sapiens

		Top 6 (of 29) ligand clusters Cluster 1. 15 ligand types 35 ligands Cluster 2. 18 ligand types 31 ligands Cluster 3. 5 ligand types 9 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 2 ligand types 2 ligands Cluster 6. 3 ligand types 11 ligands
Representative protein: 5xzrA

Structures

PDB		Schematic diagram
5xzrA
2shpA
6bmxA
4h34A
4h1oA
		more ...

Cluster 1 contains 15 ligand types

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Ligand		Description
		1. Ligand: MLT × 1 D-Malate PDB code: 3b7o(A).
		2. Ligand: PO4 × 18 Phosphate ion PDB codes: 5ehp(A), 5ehr(A), 6atd(A), 6bmr(A), 6bmu(A), 6bmv(A), 6bmw(A), 6bmx(A), 6md7(A), 6mda(A), 6mdb(A), 6mdc(A), 6mdd(A), 7jvm(A), 7jvn(A).
		3. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 4h1o(A), 4h34(A), 4nwg(A).
		4. Ligand: 2WT × 1 2-[3-({4-[(1,3-Benzodioxol-5-Ylmethyl)amino]-4- Oxobutanoyl}amino)phenyl]-6-Hydroxy-3-Iodo-1- Methyl- 1h-Indole-5-Carboxylic acid PDB code: 4pvg(A).
		5. Ligand: 3LU × 1 1-({(2r)-4-Carboxy-2-[(R)-Carboxy{[(2r)-2-Phenyl-2- Sulfoacetyl]amino}methyl]-3,6-Dihydro-2h-1,3- Thiazin- 5-Yl}methyl)pyridinium PDB code: 4rdd(A).
		6. Ligand: B2B × 1 (2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10s,12s,15e,17e)-18- Carboxy-16-Ethyl-3,7-Dihydroxy-1,2,6,10,12- Pentamethyl-5-Oxooctadeca-15,17-Dien-1-Yl]oxy}-1- Hydroxy-3-Oxopropyl]-3-Methylbut-2- Enedioic acid PDB code: 3mow(A).
		7. Ligand: GLN-THR-GLU-PTR-ALA-THR-ILE-VAL-PHE-PRO × 1 PTR=O-Phosphotyrosine. PDB code: 6roz(A).
		8. Ligand: JZG × 1 3-{1-[3-(Biphenyl-4-Ylamino)-3-Oxopropyl]-1h-1,2,3- Triazol-4-Yl}-6-Hydroxy-1-Methyl-2-Phenyl-1h- Indole-5- Carboxylic acid PDB code: 3o5x(A).
		9. Ligand: LEU-ASN-PTR-ALA-GLN-LEU-TRP × 1 PTR=O-Phosphotyrosine. PDB code: 3tl0(A).
		10. Ligand: PRO-ILE-PTR-ALA-THR-ILE-ASP × 1 PTR=O-Phosphotyrosine. PDB code: 5x7b(A).
		11. Ligand: PRO-ILE-PTR-ALA-THR-ILE-ASP-PHE-ASP × 1 PTR=O-Phosphotyrosine. PDB code: 5x94(A).
		12. Ligand: THR-PTR-THR-GLU-VAL-ASP-NH2 × 1 PTR=O-Phosphotyrosine, NH2=Amino group. PDB code: 5df6(A).
		13. Ligand: VAL-ASP-PTR-GLY-GLU-LEU-ASP-PHE-GLN × 1 PTR=O-Phosphotyrosine. PDB code: 6roy(A).
		14. Ligand: VAL-ILE-PTR-PHE-VAL-PRO × 1 PTR=O-Phosphotyrosine. PDB code: 3tkz(A).
		15. Ligand: VAL-ILE-PTR-PHE-VAL-PRO-LEU × 1 PTR=O-Phosphotyrosine. PDB code: 3tkz(A).

Cluster 2 contains 18 ligand types

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Ligand		Description
		1. Ligand: 5OD × 7 6-(4-Azanyl-4-Methyl-Piperidin-1-Yl)-3-[2,3- Bis(chloranyl)phenyl]pyrazin-2-Amine PDB codes: 5ehr(A), 6bmu(A), 6bmw(A), 6bmy(A), 6cmr(A), 6cms(A), 6crg(A).
		2. Ligand: PO4 × 7 Phosphate ion PDB codes: 5ehp(A), 6bmr(A), 6bmv(A), 6bmx(A), 6md7(A), 7jvm(A), 7jvn(A).
		3. Ligand: DZJ × 2 3-Benzyl-8-Chloro-2-Hydroxy-4h-Pyrimido[2,1-B][1, 3]benzothiazol-4-One PDB codes: 6bn5(A),
		4. Ligand: 5OA × 1 5-[2,3-Bis(chloranyl)phenyl]-2-[(3~{r},5~{s})-3,5- Dimethylpiperazin-1-Yl]pyrimidin-4-Amine PDB code: 5ehp(A).
		5. Ligand: 8J6 × 1 4-(3-Phenylphenyl)-N-(2,2,6,6-Tetramethylpiperidin-4- Yl)-1,3-Thiazol-2-Amine PDB code: 5xzr(A).
		6. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4nwg(A).
		7. Ligand: ILE-PTR-ALA-THR-ILE-ASP-ASP × 1 PTR=O-Phosphotyrosine. PDB code: 5x7b(A).
		8. Ligand: JE1 × 1 2-[4-(Aminomethyl)-4-Methylpiperidin-1-Yl]-5-{[2- (Trifluoromethyl)pyridin-3-Yl]sulfanyl}pyrimidin- 4(3h)-One PDB code: 6md7(A).
		9. Ligand: JE4 × 1 6-(4-Amino-4-Methylpiperidin-1-Yl)-3-(2,3- Dichlorophenyl)-5-Methyl-1,5-Dihydro-4h-Pyrazolo[3,4- D]pyrimidin-4-One PDB code: 6mdb(A).
		10. Ligand: JE7 × 1 5-[(2,3-Dichlorophenyl)sulfanyl]-3h-Imidazo[4,5- B]pyridin-2-Amine PDB code: 6mdd(A).
		11. Ligand: JEA × 1 6-[(3s,4s)-4-Amino-3-Methyl-2-Oxa-8-Azaspiro[4.5]decan- 8-Yl]-3-[3-Chloro-2- (Cyclopropylamino)pyridin-4-Yl]-5- Methyl-2,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One PDB code: 6mdc(A).
		12. Ligand: JED × 1 3-(4-Bromophenyl)-6-(4-Methylphenyl)-1h-Pyrazolo[3,4- B]pyridine-4-Carboxylic acid PDB code: 6mda(A).
		13. Ligand: JEJ × 1 3-(2-Chlorophenyl)-6-{4-[(Dimethylamino)methyl]phenyl}- 5-Methyl[1,2]oxazolo[4,5-C]pyridin-4(5h)- One PDB code: 6md9(A).
		14. Ligand: PGE × 1 Triethylene glycol PDB code: 4gwf(A).
		15. Ligand: SO4 × 1 Sulfate ion PDB code: 6crg(A).
		16. Ligand: U9Y × 1 1-[3-(2,3-Dichlorophenyl)-1h-Pyrazolo[3,4-B]pyrazin-6- Yl]-4-Methylpiperidin-4-Amine PDB code: 6wu8(A).
		17. Ligand: VKP × 1 6-(4-Amino-4-Methylpiperidin-1-Yl)-3-[(2,3- Dichlorophenyl)sulfanyl]pyrazin-2-Amine PDB code: 7jvn(A).
		18. Ligand: VKS × 1 (3s,4s)-8-{6-Amino-5-[(2-Amino-3-Chloropyridin-4-Yl) sulfanyl]pyrazin-2-Yl}-3-Methyl-2-Oxa-8- Azaspiro[4.5]decan-4-Amine PDB code: 7jvm(A).

Cluster 3 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4h34(A).
		2. Ligand: DYV × 2 1-(3-Chloro-4-{[1-(2-Hydroxy-3-Methoxyphenyl)-5-Oxo[1, 2,4]triazolo[4,3-A]quinazolin-4(5h)- Yl]methyl}benzene- 1-Carbonyl)-L-Proline PDB codes: 6bmx(A), 6bmy(A).
		3. Ligand: DZS × 2 3-{4-[(2-Chlorophenyl)methyl]-5-Oxo-4,5-Dihydro[1,2, 4]triazolo[4,3-A]quinazolin-1-Yl}-4- Hydroxybenzoic acid PDB codes: 6bmv(A), 6bmw(A).
		4. Ligand: DZV × 2 4-[(2-Chlorophenyl)methyl]-1-(2-Hydroxy-3- Methoxyphenyl)[1,2,4]triazolo[4,3-A]quinazolin-5(4h)- One PDB codes: 6bmr(A), 6bmu(A).
		5. Ligand: SO4 × 2 Sulfate ion PDB codes: 6crg(A),

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: VAL-ASP-PTR-GLY-GLU-LEU-ASP-PHE-GLN × 1 PTR=O-Phosphotyrosine. PDB code: 6roy(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: CAT × 1 Dodecane-Trimethylamine PDB code: 2shp(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4h1o(A).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6bmu(A).
		2. Ligand: PO4 × 9 Phosphate ion PDB codes: 5ehp(A), 5ehr(A), 6bmr(A), 6bmw(A), 6bmx(A), 6bmy(A), 6md7(A), 6md9(A), 6mdc(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 6crg(A).