Ligand clusters for UniProt code P63086

Ligand clusters for P63086: Mitogen-activated protein kinase 1 from Rattus norvegicus

		Top 6 (of 32) ligand clusters Cluster 1. 40 ligand types 59 ligands Cluster 2. 5 ligand types 13 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 3 ligand types 14 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 2 ligand types 9 ligands
Representative protein: 3zuvA

Structures

PDB		Schematic diagram
3zuvA
6opkA
3erkA
4erkA
4gt3A
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Cluster 1 contains 40 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ATP × 1 Adenosine-5'-Triphosphate PDB code: 1gol(A).
		2. Ligand: DMS × 9 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 3qyz(A), 4xp3(A), 5hd4(A), 6fi6(A), 6fj0(A), 6fle(A), 6frp(A).
_Mg		3. Metal: _MG × 5 PDB codes: 1gol(A), 4gt3(A), 4s32(A), 4s33(A), 4s34(A).
		4. Ligand: DX4 × 2 tioguanine 2-Amino-1,9-Dihydro-6h-Purine-6-Thione PDB codes: 4xoy(A), 4xp3(A).
		5. Ligand: OLO × 1 Olomoucine PDB code: 4erk(A).
		6. Ligand: SB4 × 1 4-(4-Fluorophenyl)-1-(4-Piperidinyl)-5-(2-Amino-4- Pyrimidinyl)-Imidazole PDB code: 3erk(A).
		7. Ligand: ANP × 3 Phosphoaminophosphonic acid-Adenylate ester PDB codes: 4s32(A), 4s33(A), 4s34(A).
		8. Ligand: 38Z × 2 (3r)-1-(2-Oxo-2-{4-[4-(Pyrimidin-2-Yl)phenyl]piperazin- 1-Yl}ethyl)-N-[3-(Pyridin-4-Yl)-2h-Indazol- 5- Yl]pyrrolidine-3-Carboxamide PDB codes: 5hd4(A), 5hd7(A).
		9. Ligand: 42A × 2 1h-Pyrrolo[2,3-B]pyridine-3-Carbonitrile PDB codes: 4xp0(A), 4xrl(A).
		10. Ligand: 620 × 2 N~1~-[3-(Benzyloxy)benzyl]-1h-Tetrazole-1,5-Diamine PDB codes: 4xoz(A), 4xrj(A).
		11. Ligand: ATP × 1 Adenosine-5'-Triphosphate PDB code: 4gt3(A).
		12. Ligand: TT4 × 2 1-Phenyl-1h-1,2,4-Triazole-3,5-Diamine PDB codes: 4xne(A), 4xp2(A).
		13. Ligand: 2H1 × 1 3-[2-(Benzyloxy)-8-Methylquinolin-6-Yl]-1-(Propan-2- Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine PDB code: 4n4s(A).
		14. Ligand: 390 × 1 4-{2-[(2-Chloro-4-Fluorophenyl)amino]-5- Methylpyrimidin-4-Yl}-N-[(1s)-1-(3-Chlorophenyl)-2- Hydroxyethyl]-1h-Pyrrole-2-Carboxamide PDB code: 6opk(A).
		15. Ligand: 3G7 × 1 (3r)-1-{2-[4-(4-Acetylphenyl)piperazin-1-Yl]-2- Oxoethyl}-N-(3-Chloro-4-Hydroxyphenyl)pyrrolidine- 3- Carboxamide PDB code: 4qyy(A).
		16. Ligand: 6PB × 1 6-(3-Bromophenyl)-7h-Purin-2-Amine PDB code: 3qyw(A).
		17. Ligand: 6S9 × 1 1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3- C]pyridin-6-Yl]-3-(Phenylmethyl)urea PDB code: 5ke0(A).
		18. Ligand: 81Y × 1 3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl) oxy]-1h-Indazole PDB code: 5u6i(A).
		19. Ligand: A3N × 1 5'-Deoxy-5'-(Prop-2-Yn-1-Ylamino)adenosine PDB code: 6fj0(A).
		20. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 4gva(A).
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Cluster 2 contains 5 ligand types

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Ligand		Description
		1. Ligand: DMS × 9 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 3qyw(A), 3qyz(A), 4xp0(A), 4xp2(A), 6fj0(A), 6fma(A), 6fq7(A), 6frp(A), 6fxv(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 4gva(A).
		3. Ligand: ARG-PRO-PRO-ASP-LEU-TRP-ILE-HIS × 1 PDB code: 3o71(A).
		4. Ligand: BME × 1 Beta-Mercaptoethanol PDB code: 2z7l(A).
		5. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 5hd4(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: Q23 × 1 (3r)-1,1-Dioxido-2,3-Dihydrothiophen-3-Yl benzenesulfonate PDB code: 3qyi(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 11 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 3qyw(A), 3qyz(A), 4xp3(A), 6fi3(A), 6fj0(A), 6flv(A), 6fma(A), 6fn5(A), 6fq7(A), 6fr1(A), 6fxv(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 4gsb(A).
		3. Ligand: SO4 × 2 Sulfate ion PDB codes: 4xp2(A), 6frp(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 3qyi(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 8 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 3qyw(A), 3qyz(A), 4xp3(A), 6fma(A), 6fn5(A), 6fr1(A), 6frp(A), 6fxv(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4gt3(A).