Ligand clusters for UniProt code P25321

Ligand clusters for P25321: cAMP-dependent protein kinase catalytic subunit alpha from Cricetulus griseus

		Top 6 (of 22) ligand clusters Cluster 1. 71 ligand types 107 ligands Cluster 2. 8 ligand types 73 ligands Cluster 3. 4 ligand types 4 ligands Cluster 4. 4 ligand types 8 ligands Cluster 5. 4 ligand types 13 ligands Cluster 6. 4 ligand types 7 ligands
Representative protein: 5lcpA

Structures

PDB		Schematic diagram
5lcpA
5n32A
5n3bA
6emcA
6i2bA
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Cluster 1 contains 71 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ADE × 1 adenine Adenine PDB code: 6y05(A).
		2. Ligand: BEZ × 1 benzoic acid Benzoic acid PDB code: 6snn(A).
		3. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5n1k(A).
		4. Ligand: E5E × 1 norepinephrine Noradrenaline PDB code: 5n3l(A).
		5. Ligand: IPH × 1 phenol Phenol PDB code: 6z44(A).
		6. Ligand: NCA × 1 nicotinamide Nicotinamide PDB code: 5n3h(A).
		7. Ligand: M77 × 9 5-(1,4-Diazepan-1-Sulfonyl)isoquinoline PDB codes: 5lcp(A), 5nw8(A), 5o0e(A), 5ok3(A), 6em2(A), 6erw(A), 6i2a(A), 6i2c(A), 6yna(A).
		8. Ligand: 9LQ × 8 [2-[(4-Isoquinolin-5-Ylsulfonyl-1,4-Diazepan-1-Yl) methyl]phenyl]boronic acid PDB codes: 5o5m(A), 5ol3(A), 5ot3(A), 6egw(A), 6emc(A), 6emd(A), 6i2b(A), 6i2d(A).
		9. Ligand: RIP × 6 Beta-D-Ribopyranose PDB codes: 5ntj(A), 5ot3(A), 5ouc(A), 6em7(A), 6ema(A), 6esa(A).
		10. Ligand: AO8 × 4 [2-[[2-(Isoquinolin-5-Ylsulfonylamino) ethylamino]methyl]phenyl]boronic acid PDB codes: 5otg(A), 5ouc(A), 6eme(A), 6i2h(A).
		11. Ligand: LRT × 3 5-(1,4-Diazepan-1-Ylsulfonyl)isoquinolin-1-Amine PDB codes: 6sq1(A), 6y2u(A), 6ynt(A).
		12. Ligand: 489 × 2 (1s)-2-Amino-1-(4-Fluorophenyl)ethanol PDB codes: 5n1k(A),
		13. Ligand: 6TV × 2 ~{N}-[2-(Propylamino)ethyl]isoquinoline-5-Sulfonamide PDB codes: 5lcq(A), 6yqi(A).
		14. Ligand: 6TX × 2 2-[Isoquinolin-5-Ylsulfonyl(propyl)amino]ethylazanium PDB codes: 5lcr(A), 6yqj(A).
		15. Ligand: 7CT × 2 ~{N}-Methylisoquinoline-5-Sulfonamide PDB codes: 5m0l(A), 6ync(A).
		16. Ligand: 7KB × 2 5-(1,4-Diazepan-1-Ylsulfonyl)-4-Methyl-Isoquinoline PDB codes: 5m6y(A), 6yqk(A).
		17. Ligand: ADP × 2 Adenosine-5'-Diphosphate PDB codes: 6em6(A), 6em7(A).
		18. Ligand: AMP × 2 Adenosine monophosphate PDB codes: 6eh2(A), 6esa(A).
		19. Ligand: ATP × 2 Adenosine-5'-Triphosphate PDB codes: 6ema(A), 6y8c(A).
		20. Ligand: IQU × 2 N-(2-Aminoethyl)isoquinoline-5-Sulfonamide PDB codes: 5m0b(A), 6ynb(A).
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Cluster 2 contains 8 ligand types

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Ligand		Description
		1. Ligand: DMS × 4 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5lcp(A), 5m75(A), 6y0b(A), 6ynb(A).
		2. Ligand: MPD × 56 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 5lct(A), 5lcu(A), 5m0b(A), 5m6y(A), 5mhi(A), 5n1d(A), 5n1e(A), 5n1f(A), 5n1h(A), 5n1l(A), 5n1m(A), 5n1n(A), 5n1o(A), 5n32(A), 5n33(A), 5n36(A), 5n37(A), 5n39(A), 5n3a(A), 5n3b(A), 5n3c(A), 5n3d(A), 5n3e(A), 5n3f(A), 5n3g(A), 5n3j(A), 5n3k(A), 5n3l(A), 5n3m(A), 5n3n(A), 5n3o(A), 5n3p(A), 5n3q(A), 5n3r(A), 5n3s(A), 5n7p(A), 5n7u(A), 5ntj(A), 5nw8(A), 5o0e(A), 5ol3(A), 5ot3(A), 5ous(A), 6eh2(A), 6em2(A), 6em7(A), 6erv(A), 6erw(A), 6esa(A), 6sox(A), 6sps(A), 6spy(A), 6sq1(A), 6y8c(A), 6yna(A), 6ynt(A).
		3. Ligand: MRD × 7 (4r)-2-Methylpentane-2,4-Diol PDB codes: 5lcq(A), 5lcr(A), 5m0u(A), 6y05(A), 6y89(A), 6z44(A), 6zn0(A).
		4. Ligand: 9LQ × 2 [2-[(4-Isoquinolin-5-Ylsulfonyl-1,4-Diazepan-1-Yl) methyl]phenyl]boronic acid PDB codes: 6emc(A), 6i2b(A).
		5. Ligand: 489 × 1 (1s)-2-Amino-1-(4-Fluorophenyl)ethanol PDB code: 5n1k(A).
		6. Ligand: 7CT × 1 ~{N}-Methylisoquinoline-5-Sulfonamide PDB code: 5m0l(A).
		7. Ligand: 8G5 × 1 (4r)-4-(2-Amino-1,3-Thiazol-4-Yl)-1-Oxaspiro[4.5]decan- 2-One PDB code: 5n1g(A).
		8. Ligand: P4W × 1 ~{N},~{N}-Dimethylisoquinoline-5-Sulfonamide PDB code: 6yot(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: 3AB × 1 3-Aminobenzamide PDB code: 5n3q(A).
		2. Ligand: 8K2 × 1 5-Chloranylthiophene-2-Sulfonamide PDB code: 5n3t(A).
		3. Ligand: CDT × 1 4-Methylsulfanyl-2-Ureido-Butyric acid PDB code: 5n3r(A).
		4. Ligand: UNU × 1 Benzamide PDB code: 6snx(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 5 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5n1e(A), 5n1l(A), 5n1m(A), 5n37(A), 5n3m(A).
		2. Ligand: 8K5 × 1 [Azanyl-[(4-Chlorophenyl) methylsulfanyl]methylidene]azanium PDB code: 5n32(A).
		3. Ligand: 8KB × 1 (6~{r})-1,4-Oxazepan-6-Ol PDB code: 5n3g(A).
		4. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 6y89(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5n3k(A).
		2. Ligand: MPD × 8 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 5m0l(A), 6em7(A), 6esa(A), 6sq1(A), 6y05(A), 6y89(A), 6y8c(A), 6ynr(A).
		3. Ligand: MRD × 3 (4r)-2-Methylpentane-2,4-Diol PDB codes: 5m0c(A), 6f14(A), 6ynt(A).
		4. Ligand: 8G8 × 1 2-Chloranyl-9-Methyl-Purine PDB code: 5n1n(A).

Cluster 6 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 3 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6spu(A), 6sq1(A), 6y2o(A).
		2. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 5n1d(A), 6ynt(A).
		3. Ligand: 7N9 × 1 (5-Chloranyl-2-Methoxy-Phenyl)methylazanium PDB code: 5mhi(A).
		4. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 6y05(A).