Ligand clusters for UniProt code P05132

Ligand clusters for P05132: cAMP-dependent protein kinase catalytic subunit alpha OS=Mus musculus OX=10090 GN=Prkaca PE=1 SV=3

		Top 6 (of 23) ligand clusters Cluster 1. 26 ligand types 149 ligands Cluster 2. 5 ligand types 14 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 3 ligand types 4 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 3qamE

Structures

PDB		Schematic diagram
3qamE
1apmE
5jr7A
1atpE
1pvkB
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Cluster 1 contains 26 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ADP × 2 Adenosine-5'-Diphosphate PDB codes: 1jbp(E), 1rdq(E).
		2. Ligand: ATP × 2 Adenosine-5'-Triphosphate PDB codes: 1atp(E), 1rdq(E).
_Mg		3. Metal: _MG × 47 PDB codes: 1l3r(E), 1rdq(E), 3o7l(B), 3qal(E), 3qam(E), 3x2u(A), 3x2v(A), 3x2w(A), 4dfx(E), 4dg0(E), 4dg3(E), 4dh1(A), 4dh3(A), 4dh5(A), 4dh7(A), 4dh8(A), 4din(A), 4hpt(E), 4hpu(E), 4iac(A), 4iad(A), 4iaf(A), 4ntt(A), 4x6r(A), 4xw6(A), 6mm5(E).
_Mn		4. Metal: _MN × 16 PDB codes: 1atp(E), 1pvk(B), 2qcs(A), 3fhi(A), 3fjq(E), 3idb(A), 3idc(A), 3pvb(A),
__K		5. Metal: __K × 2 PDB codes: 4ib1(A),
		6. Ligand: ADN × 1 adenosine Adenosine PDB code: 1fmo(E).
		7. Ligand: ANP × 1 Phosphoaminophosphonic acid-Adenylate ester PDB code: 2qcs(A).
		8. Ligand: B1L × 1 3-[(4-Hydroxybenzoyl)amino]azepan-4-Yl 4- Hydroxybenzoate PDB code: 1rej(A).
		9. Ligand: HFS × 1 1-(1-Hydroxy-5-Isoquinolinesulfonyl)homopiperazine PDB code: 2erz(E).
		10. Ligand: BD2 × 1 3-[(4-Hydroxybenzoyl)amino]azepan-4-Yl 4-(2- Hydroxybenzoyl)benzoate PDB code: 1re8(A).
		11. Ligand: PO4 × 1 Phosphate ion PDB code: 1rdq(E).
		12. Ligand: B8L × 1 3-[(3-Sec-Butyl-4-Hydroxybenzoyl)amino]azepan-4-Yl 4- (2-Hydroxy-5-Methoxybenzoyl)benzoate PDB code: 1rek(A).
		13. Ligand: BA1 × 1 Balanol PDB code: 1bx6(A).
		14. Ligand: ADP × 17 Adenosine-5'-Diphosphate PDB codes: 2qur(A), 4dh5(A), 4iad(A), 4iaf(A), 4iai(A), 4iak(A), 4iay(A), 4iaz(A), 4ib0(A), 4ib1(A), 4ib3(A), 4ntt(A), 4o21(A), 4wbb(B), 4xw6(A), 5jr7(A), 6e21(A).
		15. Ligand: ANP × 18 Phosphoaminophosphonic acid-Adenylate ester PDB codes: 3fhi(A), 3idb(A), 3idc(A), 3o7l(B), 3pvb(A), 4dfx(E), 4dg0(E), 4dg3(E), 4dh7(A), 4dh8(A), 4hpt(E), 4hpu(E), 4xw4(A), 6mm5(E), 6mm6(C), 6mm7(A), 6mm8(C).
		16. Ligand: ATP × 12 Adenosine-5'-Triphosphate PDB codes: 1pvk(B), 3fjq(E), 3qal(E), 3qam(E), 3x2u(A), 3x2v(A), 3x2w(A), 4dh1(A), 4dh3(A), 4din(A), 4x6r(A), 4xw5(A).
_Ca		17. Metal: _CA × 8 PDB codes: 4iai(A), 4wbb(B), 4xw4(A), 4xw5(A),
_Sr		18. Metal: _SR × 6 PDB codes: 4iak(A), 4iay(A), 6e21(A),
		19. Ligand: PO4 × 2 Phosphate ion PDB codes: 4dh5(A), 4xw6(A).
_Ba		20. Metal: _BA × 2 PDB codes: 4iaz(A),
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Cluster 2 contains 5 ligand types

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Ligand		Description
		1. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 1j3h(A), 1l3r(E).
		2. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 1rdq(E).
		3. Ligand: PTL × 1 Pentanal PDB code: 1rek(A).
		4. Ligand: OCT × 3 N-Octane PDB codes: 1apm(E), 1jbp(E), 1jlu(E).
		5. Ligand: MYR × 7 Myristic acid PDB codes: 4dfx(E), 4dfz(E), 4dg0(E), 4dg2(E), 4hpu(E), 4nts(A), 4x6r(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: TAM × 2 Tris(hydroxyethyl)aminomethane PDB codes: 2qcs(A), 4x6r(A).
		2. Ligand: 2PO × 1 Phosphonate PDB code: 1pvk(B).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: ACY × 1 acetic acid Acetic acid PDB code: 6mm8(C).
		2. Ligand: ACT × 1 Acetate ion PDB code: 2qcs(A).
		3. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6mm7(A), 6mm8(C).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4dfx(E).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6mm8(C).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: PGE × 1 Triethylene glycol PDB code: 6mm6(C).