Ligand clusters for UniProt code Q13627

Ligand clusters for Q13627: Dual specificity tyrosine-phosphorylation-regulated kinase 1A from Homo sapiens

		Top 6 (of 23) ligand clusters Cluster 1. 67 ligand types 110 ligands Cluster 2. 4 ligand types 13 ligands Cluster 3. 3 ligand types 7 ligands Cluster 4. 4 ligand types 12 ligands Cluster 5. 4 ligand types 5 ligands Cluster 6. 3 ligand types 10 ligands
Representative protein: 4azeA

Structures

PDB		Schematic diagram
4azeA
6uipA
6t6aA
6uwyA
4mq1C
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Cluster 1 contains 67 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: 2K2 × 1 midostaurin Pkc412 PDB code: 4nct(A).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6s1j(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 7ajs(A).
		4. Ligand: SO4 × 18 Sulfate ion PDB codes: 2vx3(A), 4mq1(A), 4ylk(A), 4yll(A), 6a1f(A), 6s14(A), 6s1b(A), 6s1h(A), 6s1i(A), 6s1j(A),
		5. Ligand: EDO × 10 1,2-Ethanediol PDB codes: 4ylk(A), 4yll(A), 6s17(A), 6s1h(A), 6s1j(A).
		6. Ligand: PG4 × 7 Tetraethylene glycol PDB codes: 4ylj(A), 6qu2(A), 6s1i(A), 6t6a(A), 6uwy(A).
		7. Ligand: 1PE × 3 Pentaethylene glycol PDB codes: 4mq1(C), 4mq2(A).
		8. Ligand: 7QQ × 3 N-(5-Methoxy-1,3-Benzothiazol-2-Yl)ethanamide PDB codes: 5a4e(A),
		9. Ligand: PO4 × 3 Phosphate ion PDB codes: 5aik(A), 7ak2(A).
		10. Ligand: 2C3 × 2 N-(5-{[(1r)-3-Amino-1-(3-Chlorophenyl) propyl]carbamoyl}-2-Chlorophenyl)-2-Methoxy-7-Oxo-7,8- Dihydropyrido[2,3-D]pyrimidine-6-Carboxamide PDB codes: 4mq1(A),
		11. Ligand: B5T × 2 4-(3-Pyridin-3-Yl-1~{h}-Pyrrolo[2,3-B]pyridin-5-Yl) benzenesulfonamide PDB codes: 6eif(A),
		12. Ligand: D15 × 2 N-(5-{[(2s)-4-Amino-2-(3-Chlorophenyl) butanoyl]amino}-1h-Indazol-3-Yl)benzamide PDB codes: 2vx3(A), 2wo6(A).
		13. Ligand: P6G × 2 Hexaethylene glycol PDB codes: 2vx3(A),
		14. Ligand: Q8J × 2 4-Ethyl-N-{4-[1-(Oxan-4-Yl)-1h-Pyrrolo[2,3-C]pyridin-3- Yl]pyridin-2-Yl}piperazine-1-Carboxamide PDB codes: 6uip(A),
		15. Ligand: 2C4 × 1 Methyl 4-Chloro-3-{[(2-Methoxy-7-Oxo-7,8- Dihydropyrido[2,3-D]pyrimidin-6- Yl) carbonyl]amino}benzoate PDB code: 4mq2(A).
		16. Ligand: 3RA × 1 5-(1,3-Benzodioxol-5-Ylmethyl)-2- (Phenylamino)-4h-Imidazol-4-One PDB code: 4aze(A).
		17. Ligand: 4E1 × 1 10-Iodo-11h-Indolo[3,2-C]quinoline-6-Carboxylic acid PDB code: 4ylj(A).
		18. Ligand: 4E2 × 1 10-Chloro-2-Iodo-11h-Indolo[3,2-C]quinoline-6- Carboxylic acid PDB code: 4ylk(A).
		19. Ligand: 4E3 × 1 10-Bromo-2-Iodo-11h-Indolo[3,2-C]quinoline-6-Carboxylic acid PDB code: 4yll(A).
		20. Ligand: 4H5 × 1 (1-Chloro-7-Methoxy-9h-Beta-Carbolin-9-Yl)acetonitrile PDB code: 4yu2(A).
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Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 7ajm(A), 7ajs(A).
		2. Ligand: SO4 × 8 Sulfate ion PDB codes: 4ylk(A), 6a1f(A), 6s14(A), 6s17(A), 6s1b(A), 6s1h(A).
		3. Ligand: PO4 × 2 Phosphate ion PDB codes: 5aik(A), 7aka(A).
		4. Ligand: B5Z × 1 ~{N}-[5-[3-(2-Morpholin-4-Ylethylcarbamoylamino) phenyl]-[1,3]thiazolo[5,4-B]pyridin-2- Yl]cyclopropanecarboxamide PDB code: 6eij(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: PG4 × 4 Tetraethylene glycol PDB codes: 4yu2(A), 6qu2(A), 6t6a(A), 6uwy(A).
		2. Ligand: 1PE × 2 Pentaethylene glycol PDB codes: 4mq1(A), 4mq2(A).
		3. Ligand: P6G × 1 Hexaethylene glycol PDB code: 2vx3(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6qu2(A).
		2. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 4ylk(A), 4yll(A), 6s17(A), 6s1b(A), 6s1j(A).
		3. Ligand: SO4 × 4 Sulfate ion PDB codes: 4mq1(A), 4mq2(A), 4ylj(A), 6t6a(A).
		4. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 6uwy(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6s17(A), 6s1j(A).
		2. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 6uwy(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 6qu2(A).
_Cl		4. Metal: _CL × 1 PDB code: 6s11(A).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 7ak2(A).
		2. Ligand: SO4 × 8 Sulfate ion PDB codes: 4ylk(A), 4yll(A), 6a1f(A), 6s14(A), 6s17(A), 6s1b(A), 6s1h(A), 6s1j(A).
		3. Ligand: PO4 × 1 Phosphate ion PDB code: 5aik(A).