Ligand clusters for UniProt code P29274

Ligand clusters for P29274: Adenosine receptor A2a from Homo sapiens

		Top 6 (of 11) ligand clusters Cluster 1. 37 ligand types 793 ligands Cluster 2. 4 ligand types 4 ligands Cluster 3. 2 ligand types 34 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 3emlA

Structures

PDB		Schematic diagram
3emlA
5wf5A
3qakA
5wf6A
5iu7A
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Cluster 1 contains 37 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: CLR × 119 cholesterol Cholesterol PDB codes: 4eiy(A), 5iu4(A), 5iu7(A), 5iu8(A), 5iua(A), 5iub(A), 5jtb(A), 5k2a(A), 5k2b(A), 5k2c(A), 5k2d(A), 5mzj(A), 5mzp(A), 5n2r(A), 5nlx(A), 5nm2(A), 5nm4(A), 5olg(A), 5olh(A), 5olo(A), 5olv(A), 5olz(A), 5om1(A), 5om4(A), 5uvi(A), 5vra(A), 6aqf(A), 6gt3(A), 6jzh(A), 6lpj(A), 6lpk(A), 6lpl(A), 6ps7(A), 6s0l(A), 6s0q(A), 6wqa(A), 6zdr(A), 6zdv(A), 7aro(A).
		2. Ligand: STE × 5 stearic acid Stearic acid PDB codes: 3eml(A),
		3. Ligand: CFF × 1 caffeine Caffeine PDB code: 5mzp(A).
		4. Ligand: CIT × 1 citric acid Citric acid PDB code: 5olg(A).
		5. Ligand: GOL × 1 glycerin Glycerol PDB code: 6wqa(A).
		6. Ligand: TEP × 1 theophylline Theophylline PDB code: 5mzj(A).
		7. Ligand: OLA × 357 Oleic acid PDB codes: 4eiy(A), 5iu4(A), 5iu7(A), 5iu8(A), 5iua(A), 5iub(A), 5jtb(A), 5k2a(A), 5k2b(A), 5k2c(A), 5k2d(A), 5mzj(A), 5mzp(A), 5n2r(A), 5nlx(A), 5nm2(A), 5nm4(A), 5olg(A), 5olh(A), 5olo(A), 5olv(A), 5olz(A), 5om1(A), 5om4(A), 5uvi(A), 5vra(A), 6aqf(A), 6gt3(A), 6jzh(A), 6ps7(A), 6s0l(A), 6s0q(A), 6wqa(A), 6zdr(A), 6zdv(A), 7aro(A),
		8. Ligand: OLC × 169 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 3qak(A), 4eiy(A), 5iu4(A), 5iu7(A), 5iu8(A), 5iub(A), 5jtb(A), 5k2a(A), 5k2b(A), 5k2c(A), 5k2d(A), 5mzj(A), 5mzp(A), 5n2r(A), 5nm2(A), 5olg(A), 5olh(A), 5olo(A), 5olv(A), 5olz(A), 5om1(A), 5om4(A), 5uvi(A), 5vra(A), 5wf5(A), 5wf6(A), 6aqf(A), 6gt3(A), 6ps7(A), 6s0l(A), 6s0q(A), 6wqa(A), 6zdr(A), 6zdv(A).
		9. Ligand: OLB × 40 (2s)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 4eiy(A), 5iu4(A), 5iu7(A), 5iu8(A), 5iua(A), 5iub(A), 5jtb(A), 5k2b(A), 5k2d(A), 5nm2(A), 5vra(A), 6aqf(A), 6ps7(A), 6s0l(A), 6s0q(A), 6wqa(A), 6zdv(A).
		10. Ligand: ZMA × 24 4-{2-[(7-Amino-2-Furan-2-Yl[1,2,4]triazolo[1,5-A][1,3, 5]triazin-5-Yl)amino]ethyl}phenol PDB codes: 3eml(A), 4eiy(A), 5iu4(A), 5jtb(A), 5k2a(A), 5k2b(A), 5k2c(A), 5k2d(A), 5nlx(A), 5nm2(A), 5nm4(A), 5olg(A), 5uvi(A), 5vra(A), 6aqf(A), 6jzh(A), 6lpj(A), 6lpk(A), 6lpl(A), 6mh8(A), 6ps7(A), 6s0l(A), 6s0q(A), 6wqa(A).
		11. Ligand: MYS × 10 Pentadecane PDB codes: 6lpj(A), 6lpk(A), 6lpl(A),
		12. Ligand: 8K6 × 7 Octadecane PDB codes: 6lpj(A), 6lpk(A), 6lpl(A),
		13. Ligand: PEG × 7 Di(hydroxyethyl)ether PDB codes: 4eiy(A), 5jtb(A), 5k2a(A), 5k2c(A), 5k2d(A).
		14. Ligand: TRD × 7 Tridecane PDB codes: 6lpj(A), 6lpk(A), 6lpl(A),
		15. Ligand: ER0 × 6 [(2~{r},3~{s})-2,3,4-Tris(oxidanyl)butyl] (5~{r},9~{r}, 13~{r})-5,9,13,17-Tetramethyloctadecanoate PDB codes: 6lpj(A), 6lpk(A), 6lpl(A),
		16. Ligand: OCT × 6 N-Octane PDB codes: 6lpj(A), 6lpk(A), 6lpl(A),
		17. Ligand: D12 × 3 Dodecane PDB codes: 6lpj(A), 6lpk(A), 6lpl(A).
		18. Ligand: T4E × 3 4-(3-Amino-5-Phenyl-1,2,4-Triazin-6-Yl)-2-Chlorophenol PDB codes: 5olz(A), 5om1(A), 5om4(A).
		19. Ligand: TAR × 3 D(-)-Tartaric acid PDB codes: 5mzp(A), 5n2r(A), 5olz(A).
		20. Ligand: UKA × 3 6-(2,2-Diphenylethylamino)-9-[(2r,3r,4s,5s)-5- (Ethylcarbamoyl)-3,4-Dihydroxy-Oxolan-2-Yl]-N-[2- [(1- Pyridin-2-Ylpiperidin-4-Yl) carbamoylamino]ethyl]purine-2-Carboxamide PDB codes: 3qak(A), 5wf5(A), 5wf6(A).
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Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: EDT × 1 edetic acid {[-(Bis-Carboxymethyl-Amino)-Ethyl]-Carboxymethyl- Amino}-Acetic acid PDB code: 5uig(A).
		2. Ligand: HTO × 1 Heptane-1,2,3-Triol PDB code: 5iu8(A).
		3. Ligand: OLA × 1 Oleic acid PDB code: 5olg(A).
_Cl		4. Metal: _CL × 1 PDB code: 5om1(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: OLA × 31 Oleic acid PDB codes: 4eiy(A), 5iu4(A), 5iu7(A), 5iu8(A), 5iua(A), 5iub(A), 5k2a(A), 5k2b(A), 5k2c(A), 5k2d(A), 5mzj(A), 5mzp(A), 5n2r(A), 5nm2(A), 5olg(A), 5olh(A), 5olo(A), 5olv(A), 5olz(A), 5om1(A), 5om4(A), 5vra(A), 6aqf(A), 6gt3(A), 6jzh(A), 6ps7(A), 6s0l(A), 6s0q(A), 6wqa(A), 6zdr(A), 6zdv(A).
		2. Ligand: D10 × 3 Decane PDB codes: 6lpj(A), 6lpk(A), 6lpl(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: OLA × 1 Oleic acid PDB code: 5olg(A).

Cluster 5 contains 1 ligand type

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

Cluster 6 contains 1 ligand type

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