Ligand clusters for UniProt code P48730

Ligand clusters for P48730: Casein kinase I isoform delta from Homo sapiens

		Top 6 (of 20) ligand clusters Cluster 1. 35 ligand types 92 ligands Cluster 2. 2 ligand types 3 ligands Cluster 3. 4 ligand types 12 ligands Cluster 4. 3 ligand types 16 ligands Cluster 5. 2 ligand types 6 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 6rcgA

Structures

PDB		Schematic diagram
6rcgA
6rchA
6ru8A
3uzpA
6ru7A
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Cluster 1 contains 35 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 6gzm(A),
		2. Ligand: CIT × 1 citric acid Citric acid PDB code: 6gzm(A).
		3. Ligand: SO4 × 41 Sulfate ion PDB codes: 3uys(A), 3uyt(A), 4kb8(A), 4kba(A), 4kbc(A), 4kbk(A), 4tn6(A), 4tw9(A), 4twc(A), 5ih4(A), 5ih5(A), 5ih6(A), 5okt(A), 5w4w(A), 6f1w(A), 6f26(A), 6pxp(A), 6rch(A),
		4. Ligand: EDO × 8 1,2-Ethanediol PDB codes: 6rch(A), 6ru6(A), 6ru7(A), 6ru8(A),
		5. Ligand: 0CK × 3 4-[1-Cyclohexyl-4-(4-Fluorophenyl)-1h-Imidazol-5- Yl]pyrimidin-2-Amine PDB codes: 3uyt(A), 3uzp(A).
		6. Ligand: 1QM × 2 9-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-2,3,4, 5-Tetrahydropyrido[2,3-F][1,4]oxazepine PDB codes: 4kba(A),
		7. Ligand: ADP × 2 Adenosine-5'-Diphosphate PDB codes: 6ru7(A), 6ru8(A).
		8. Ligand: BOG × 2 Octyl beta-D-Glucopyranoside PDB codes: 4twc(A),
		9. Ligand: CG5 × 2 (9~{r},10~{r},11~{s})-~{N}-[4-[3-(4-Fluorophenyl)-5- Propan-2-Yl-1,2-Oxazol-4-Yl]pyridin-2-Yl]-4- (4- Methoxyphenyl)-10,11-Bis(oxidanyl)-1,7- Diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-Diene-6- Carboxamide PDB codes: 6f1w(A),
		10. Ligand: HSJ × 2 Octyl beta-L-Talopyranoside PDB codes: 4tw9(A),
		11. Ligand: PO4 × 2 Phosphate ion PDB codes: 5mqv(A), 6hmp(A).
		12. Ligand: 15G × 1 2-{2-[(3,4-Difluorophenoxy)methyl]-5-Methoxypyridin-4- Yl}-1,5,6,7-Tetrahydro-4h-Pyrrolo[3,2- C]pyridin-4-One PDB code: 4hgt(A).
		13. Ligand: 16W × 1 3-[(3-Chlorophenoxy)methyl]-1-(Tetrahydro-2h-Pyran-4- Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine PDB code: 4hnf(A).
		14. Ligand: 1QG × 1 (3s)-3-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4- Yl]pyridin-2-Yl}morpholine PDB code: 4kbk(A).
		15. Ligand: 1QJ × 1 {4-[3-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]pyridin-2- Yl}methanol PDB code: 4kbc(A).
		16. Ligand: 1QN × 1 1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4- Yl]pyridin-2-Yl}-N-Methylmethanamine PDB code: 4kb8(A).
		17. Ligand: 1QO × 1 N-Benzyl-4-(Pyridin-3-Yl)pyrimidin-2-Amine PDB code: 4kb8(B).
		18. Ligand: 37J × 1 2-{[2-(Trifluoromethoxy)benzoyl]amino}-N-[6- (Trifluoromethyl)-1h-Benzimidazol-2-Yl]-1,3-Thiazole- 4-Carboxamide PDB code: 4twc(A).
		19. Ligand: 386 × 1 N-(2,2-Difluoro-5h-[1,3]dioxolo[4,5-F]benzimidazol-6- Yl)-2-{[2-(Trifluoromethoxy)benzoyl]amino}- 1,3- Thiazole-4-Carboxamide PDB code: 4tw9(A).
		20. Ligand: 9WG × 1 4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-6- Methyl-6,7-Dihydro-5h-Pyrrolo[3,4-B]pyridin-5- One PDB code: 5w4w(A).
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6ru7(A), 6ru8(A).
		2. Ligand: 15G × 1 2-{2-[(3,4-Difluorophenoxy)methyl]-5-Methoxypyridin-4- Yl}-1,5,6,7-Tetrahydro-4h-Pyrrolo[3,2- C]pyridin-4-One PDB code: 4hgt(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4twc(A), 5okt(A).
		2. Ligand: EDO × 7 1,2-Ethanediol PDB codes: 4kbc(A), 6rch(A), 6ru7(A), 6ru8(A),
		3. Ligand: SO4 × 2 Sulfate ion PDB codes: 6f1w(A), 6f26(A).
		4. Ligand: ACT × 1 Acetate ion PDB code: 5okt(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: SO4 × 13 Sulfate ion PDB codes: 3uys(A), 3uyt(D), 4kb8(A), 4kba(A), 4kbk(A), 4tw9(A), 4twc(A), 5okt(A), 5w4w(A), 6f1w(A), 6f26(A), 6pxn(A), 6pxp(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6ru6(A),
		3. Ligand: PO4 × 1 Phosphate ion PDB code: 5mqv(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 3 PDB codes: 5ih4(A), 5ih5(A), 5ih6(A).
		2. Ligand: SRT × 3 S,R meso-Tartaric acid PDB codes: 5ih4(A), 5ih5(A), 5ih6(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: PO4 × 1 Phosphate ion PDB code: 5mqv(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 6f26(A).