Ligand clusters for UniProt code P51955

Ligand clusters for P51955: Serine/threonine-protein kinase Nek2 from Homo sapiens

		Top 6 (of 20) ligand clusters Cluster 1. 30 ligand types 37 ligands Cluster 2. 4 ligand types 10 ligands Cluster 3. 2 ligand types 4 ligands Cluster 4. 3 ligand types 9 ligands Cluster 5. 3 ligand types 6 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 2w5aA

Structures

PDB		Schematic diagram
2w5aA
5m51A
5m57A
5m53A
2xk3A
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Cluster 1 contains 30 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2xno(A).
		2. Ligand: 5Z5 × 1 5-[(Z)-(5-Chloro-2-Oxo-1,2-Dihydro-3h-Indol-3-Ylidene) methyl]-N-(Diethylamino)ethyl]-2,4-Dimethyl- 1h- Pyrrole-3-Carboxamide PDB code: 2jav(A).
		3. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 2w5a(A), 2xno(A), 4afe(A), 5m53(A),
		4. Ligand: F9N × 2 3-[[6-(Cyclohexylmethoxy)-7~{h}-Purin-2-Yl]amino]-~{N}- [3-(Dimethylamino)propyl]benzenesulfonamide PDB codes: 6h0o(A), 6sk9(A).
		5. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 5m53(A),
		6. Ligand: 30E × 1 (3r,4r)-1-[3-Amino-6-(3,4,5-Trimethoxyphenyl) pyrazin-2-Yl]-3-Ethylpiperidine-4-Carboxylic acid PDB code: 2xk7(A).
		7. Ligand: 430 × 1 5-(1h-Benzimidazol-1-Yl)-3-{(1r)-1-[2- (Trifluoromethyl)phenyl]ethoxy}thiophene-2- Carboxamide PDB code: 2xnn(A).
		8. Ligand: 4SP × 1 O6-Cyclohexylmethoxy-2-(4'-Sulphamoylanilino) purine PDB code: 5m57(A).
		9. Ligand: 4VQ × 1 4-[3-Amino-6-(3,4,5-Trimethoxyphenyl)pyrazin- 2-Yl]-2-Methylbenzoic acid PDB code: 2xkc(A).
		10. Ligand: 5R1 × 1 4-[3-Amino-6-(3,4,5-Trimethoxyphenyl)pyrazin- 2-Yl]-2-Methoxybenzoic acid PDB code: 2xk8(A).
		11. Ligand: 7GG × 1 6-[(~{Z})-2-(Diethylamino)ethenyl]-~{N}-Phenyl-7~{h}- Purin-2-Amine PDB code: 5m55(A).
		12. Ligand: 7GJ × 1 3-[[6-(Cyclohexylmethoxy)-7~{h}-Purin-2-Yl]amino]-~{N}, ~{N}-Dimethyl-Benzamide PDB code: 5m53(A).
		13. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 2w5a(A).
		14. Ligand: BX1 × 1 1-[3-Amino-6-(3,4,5-Trimethoxyphenyl)pyrazin- 2-Yl]piperidine-4-Carboxylic acid PDB code: 2xkf(A).
		15. Ligand: ED8 × 1 5-{6-[(1-Methylpiperidin-4-Yl)oxy]-1h- Benzimidazol-1-Yl}-3-{[2- (Trifluoromethyl)benzyl] oxy}thiophene-2-Carboxamide PDB code: 2xno(A).
		16. Ligand: EQH × 1 Cis-4-[3-Amino-6-(3-Cyclopropylthiophen-2-Yl) pyrazin-2-Yl]cyclohexanecarboxylic acid PDB code: 2xk6(A).
		17. Ligand: GGY × 1 4-(2-Amino-5-{4-[(Dimethylamino)methyl] thiophen-2-Yl}pyridin-3-Yl)-2-{[(1r,2z)-4,4,4- Trifluoro- 1-Methylbut-2-En-1-Yl]oxy} benzamide PDB code: 4afe(A).
		18. Ligand: JUP × 1 4-(2-Amino-5-{4-[(Dimethylamino)methyl] thiophen-2-Yl}pyridin-3-Yl)-2-{(1r)-1-[2- (Trifluoromethyl)phenyl]ethoxy}benzamide PDB code: 4a4x(A).
		19. Ligand: LCB × 1 4-[(6-Ethyl-7~{h}-Purin-2-Yl)amino]benzenesulfonamide PDB code: 6sgi(A).
		20. Ligand: LCQ × 1 2-Phenylazanyl-9~{h}-Purine-6-Carbonitrile PDB code: 6sgk(A).
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Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 2xnm(A), 2xnn(A), 2xno(A), 5m53(A).
		2. Ligand: PO4 × 2 Phosphate ion PDB codes: 5m53(A),
_Cl		3. Metal: _CL × 2 PDB codes: 2xk4(A), 2xnp(A).
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 5m55(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 6h0o(A), 6sk9(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 2w5a(A), 2xno(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
_Cl		1. Metal: _CL × 7 PDB codes: 2wqo(A), 2xk4(A), 2xk7(A), 2xk8(A), 2xkc(A), 2xnm(A), 2xno(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 2xnm(A).
		3. Ligand: PO4 × 1 Phosphate ion PDB code: 5m53(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 2xnm(A), 2xno(A), 2xnp(A).
_Cl		2. Metal: _CL × 2 PDB codes: 2xk7(A), 2xnn(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 5m55(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: PO4 × 1 Phosphate ion PDB code: 5m53(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 5m55(A).