Ligand clusters for UniProt code P61925

Ligand clusters for P61925: cAMP-dependent protein kinase inhibitor alpha from Homo sapiens

		4 ligand clusters Cluster 1. 21 ligand types 44 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 2 ligand types 2 ligands Cluster 4. 2 ligand types 4 ligands
Representative protein: 1cmkI

Structures

PDB		Schematic diagram
1cmkI
4iaiS
4wb7I
4ib0S
4wb8I
		more ...

Cluster 1 contains 21 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
_Mg		1. Metal: _MG × 2 PDB codes: 4iad(S), 4iaf(S).
		2. Ligand: IPH × 1 phenol Phenol PDB code: 3nx8(B).
__K		3. Metal: __K × 1 PDB code: 4ib1(S).
		4. Ligand: M77 × 1 5-(1,4-Diazepan-1-Sulfonyl)isoquinoline PDB code: 2gni(I).
		5. Ligand: R69 × 2 N-[4-({4-[5-(Dimethylamino)-2- Hydroxybenzoyl]benzoyl}amino)azepan-3- Yl]isonicotinamide PDB codes: 1xh4(B), 1xh9(B).
		6. Ligand: R94 × 1 N-(4-{[4-(2-Hydroxy-5-Piperidin-1-Ylbenzoyl) benzoyl]amino}azepan-3-Yl)isonicotinamide PDB code: 1xh6(B).
		7. Ligand: R68 × 2 N-{4-[(4-{3-[(2r)-3,3-Dimethylpiperidin-2-Yl]-2- Fluoro-6-Hydroxybenzoyl}benzoyl)amino]azepan-3- Yl}isonicotinamide PDB codes: 1xh5(B), 1xha(B).
		8. Ligand: R55 × 1 N-[4-({4-[5-(4,4-Dimethylpiperidin-1-Yl)-2- Hydroxybenzoyl]benzoyl}amino)azepan-3- Yl]isonicotinamide PDB code: 1xh8(B).
		9. Ligand: R96 × 1 N-[4-({4-[5-(3,3-Dimethylpiperidin-1-Yl)-2- Hydroxybenzoyl]benzoyl}amino)azepan-3- Yl]isonicotinamide PDB code: 1xh7(B).
		10. Ligand: GVO × 1 (2s)-2-(4-Chlorophenyl)-2-[4-(1h-Pyrazol-4- Yl)phenyl]ethanamine PDB code: 2uw6(I).
		11. Ligand: L20 × 1 (2s)-1-(1h-Indol-3-Yl)-3-{[5-(3-Methyl-1h- Indazol-5-Yl)pyridin-3-Yl]oxy}propan-2-Amine PDB code: 2jdv(I).
		12. Ligand: ADP × 11 Adenosine-5'-Diphosphate PDB codes: 4iad(S), 4iaf(S), 4iai(S), 4iak(S), 4iay(S), 4iaz(S), 4ib0(S), 4ib1(S), 4ib3(S), 4o21(S), 6e21(B).
		13. Ligand: ATP × 8 Adenosine-5'-Triphosphate PDB codes: 3x2u(S), 3x2v(S), 3x2w(S), 4wb5(I), 4wb6(I), 4wb7(I), 4wb8(I).
_Sr		14. Metal: _SR × 3 PDB codes: 4iak(S), 4iay(S), 6e21(B).
		15. Ligand: BUD × 2 (2s,3s)-Butane-2,3-Diol PDB codes: 3ovv(B), 3poo(B).
		16. Ligand: 6TV × 1 ~{N}-[2-(Propylamino)ethyl]isoquinoline-5-Sulfonamide PDB code: 5lcq(B).
		17. Ligand: ACP × 1 Phosphomethylphosphonic acid adenylate ester PDB code: 4iac(S).
		18. Ligand: E3Z × 1 ~{N}-[3-[(5-Chloranyl-2-Phenylazanyl-Pyrimidin-4-Yl) amino]phenyl]prop-2-Enamide PDB code: 6frx(B).
_Ba		19. Metal: _BA × 1 PDB code: 4iaz(S).
_Ca		20. Metal: _CA × 1 PDB code: 4iai(S).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: TPO × 1 Phosphothreonine PDB code: 4uj9(B).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: BU3 × 1 (R,R)-2,3-Butanediol PDB code: 1xh5(B).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 2vo0(I).

Cluster 4 contains 2 ligand types

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Ligand		Description
Iod		1. Metal: IOD × 2 PDB codes: 1cmk(I),
		2. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 4ujb(B), 5bx7(B).