Ligand clusters for UniProt code P00517

Ligand clusters for P00517: cAMP-dependent protein kinase catalytic subunit alpha OS=Bos taurus GN=PRKACA PE=1 SV=3

		Top 6 (of 15) ligand clusters Cluster 1. 75 ligand types 88 ligands Cluster 2. 9 ligand types 17 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 2 ligand types 3 ligands Cluster 5. 2 ligand types 4 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 1smhA

Structures

PDB		Schematic diagram
1smhA
1q8uA
6e99A
1q8wA
1q8tA
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Cluster 1 contains 75 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: 1q24(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 4ie9(A).
_Mg		3. Metal: _MG × 1 PDB code: 1q24(A).
		4. Ligand: STU × 1 Staurosporine PDB code: 1stc(E).
		5. Ligand: GVI × 1 N-Methyl-1-[4-(9h-Purin-6-Yl)phenyl] methanamine PDB code: 2uvy(A).
		6. Ligand: M77 × 2 5-(1,4-Diazepan-1-Sulfonyl)isoquinoline PDB codes: 1q8w(A), 2gni(A).
		7. Ligand: GVH × 1 1h-Pyrrolo[2,3-B]pyridine PDB code: 2uvx(A).
		8. Ligand: IQP × 1 1-(5-Isoquinolinesulfonyl)-2-Methylpiperazine PDB code: 1ydr(E).
		9. Ligand: H52 × 3 (S)-2-Methyl-1-[(4-Methyl-5-Isoquinoline)sulfonyl]- Homopiperazine PDB codes: 1q8u(A), 2gnh(A), 2gnl(A).
		10. Ligand: BU3 × 1 (R,R)-2,3-Butanediol PDB code: 1smh(A).
		11. Ligand: GVJ × 1 (S)-1-Phenyl-1-[4-(9h-Purin-6-Yl)phenyl] methanamine PDB code: 2uvz(A).
		12. Ligand: I05 × 1 (3r,4r)-N-{4-[4-(2-Fluoro-6-Hydroxy-3-Methoxy-Benzoyl)- Benzyloxy]-Azepan-3-Yl}-Isonicotinamide PDB code: 1veb(A).
		13. Ligand: I08 × 1 (3r,4s)-N-(4-{Trans-2-[4-(2-Fluoro-6-Hydroxy-3- Methoxy-Benzoyl)-Phenyl]-Vinyl}-Azepan-3-Yl)- Isonicotinamide PDB code: 1svh(A).
		14. Ligand: R69 × 2 N-[4-({4-[5-(Dimethylamino)-2- Hydroxybenzoyl]benzoyl}amino)azepan-3- Yl]isonicotinamide PDB codes: 1xh4(A), 1xh9(A).
		15. Ligand: BI4 × 1 3-(1h-Indol-3-Yl)-4-{1-[2-(1-Methylpyrrolidin-2-Yl) ethyl]-1h-Indol-3-Yl}-1h-Pyrrole-2,5-Dione PDB code: 1szm(A).
		16. Ligand: GVK × 1 6-{4-[4-(4-Chlorophenyl)piperidin-4-Yl] phenyl}-9h-Purine PDB code: 2uw0(A).
		17. Ligand: I01 × 1 (4r)-4-(2-Fluoro-6-Hydroxy-3-Methoxy-Benzoyl)-Benzoic acid (3r)-3-[(Pyridine-4-Carbonyl)amino]- Azepan-4-Yl ester PDB code: 1sve(A).
		18. Ligand: I04 × 1 N-{(3r,4r)-4-[4-(2-Fluoro-6-Hydroxy-3-Methoxy- Benzoyl)-Benzoylamino]-Azepan-3-Yl}isonicotinamide PDB code: 1svg(A).
		19. Ligand: I5S × 2 Isoquinoline-5-Sulfonic acid (2-(2-(4-Chlorobenzyloxy) ethylamino)ethyl)amide PDB codes: 2c1a(A), 2jdt(A).
		20. Ligand: R94 × 1 N-(4-{[4-(2-Hydroxy-5-Piperidin-1-Ylbenzoyl) benzoyl]amino}azepan-3-Yl)isonicotinamide PDB code: 1xh6(A).
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Cluster 2 contains 9 ligand types

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Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 3zo1(A), 3zo2(A), 3zo3(A), 3zo4(A).
		2. Ligand: MG8 × 4 N-Octanoyl-N-Methylglucamine PDB codes: 1q61(A), 1q8u(A), 1smh(A), 1sve(A).
		3. Ligand: BU3 × 1 (R,R)-2,3-Butanediol PDB code: 1xh9(A).
		4. Ligand: OCT × 1 N-Octane PDB code: 2gfc(A).
		5. Ligand: MG8 × 1 N-Octanoyl-N-Methylglucamine PDB code: 4c34(A).
		6. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 4c35(A), 4c37(A).
		7. Ligand: 4L7 × 1 7-{(3s,4r)-4-[(5-Bromothiophen-2-Yl) carbonyl]pyrrolidin-3-Yl}quinazolin-4(3h)-One PDB code: 4z83(E).
		8. Ligand: M03 × 1 1-[4-(4-Chlorophenyl)-1-(7h-Pyrrolo[2,3-D] pyrimidin-4-Yl)piperidin-4-Yl]methanamine PDB code: 2vo0(A).
		9. Ligand: M05 × 1 4-(4-Chlorobenzyl)-1-(7h-Pyrrolo[2,3-D] pyrimidin-4-Yl)piperidin-4-Aminium PDB code: 2vo7(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: BU3 × 1 (R,R)-2,3-Butanediol PDB code: 1smh(A).
		2. Ligand: ARX × 1 (2s,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-N-(6-{[(1r)-4- Carbamimidamido-1-{[(1r)-4-Carbamimidamido- 1- Carbamoylbutyl]carbamoyl}butyl]amino}-6-Oxohexyl)-3,4- Dihydroxytetrahydrofuran-2-Carboxamide PDB code: 3bwj(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3zo1(A).
		2. Ligand: H52 × 2 (S)-2-Methyl-1-[(4-Methyl-5-Isoquinoline)sulfonyl]- Homopiperazine PDB codes: 1q8u(A), 2gnh(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3zo1(A), 3zo3(A).
		2. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 3zo2(A), 3zo4(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 3zo4(A).
		2. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 2vo0(A).