Ligand clusters for UniProt code Q8TEK3

Ligand clusters for Q8TEK3: Histone-lysine N-methyltransferase, H3 lysine-79 specific from Homo sapiens

		Top 6 (of 15) ligand clusters Cluster 1. 32 ligand types 46 ligands Cluster 2. 4 ligand types 4 ligands Cluster 3. 3 ligand types 5 ligands Cluster 4. 4 ligand types 6 ligands Cluster 5. 2 ligand types 4 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 3uwpA

Structures

PDB		Schematic diagram
3uwpA
7bwdK
4er6A
4er7A
4er5A
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Cluster 1 contains 32 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: SAM × 6 ademetionine S-Adenosylmethionine PDB codes: 1nw3(A), 3qow(A), 6jm9(X), 6jma(X), 6nj9(K), 6nqa(K).
		2. Ligand: ADN × 1 adenosine Adenosine PDB code: 5mvs(A).
		3. Ligand: SAH × 5 S-Adenosyl-L-Homocysteine PDB codes: 3qox(A), 6in3(A), 6j99(K), 6o96(K), 7bwd(K).
		4. Ligand: 0QK × 4 7-{5-[(3-{[(4-Tert-Butylphenyl)carbamoyl]amino}propyl) (propan-2-Yl)amino]-5-Deoxy-Beta-D- Ribofuranosyl}-7h- Pyrrolo[2,3-D]pyrimidin-4-Amine PDB codes: 4eki(A), 4er3(A), 4er5(A),
		5. Ligand: 5JJ × 2 N~6~-(2,6-Dichlorophenyl)-N~6~-(Pent-2-Yn-1-Yl) quinoline-4,6-Diamine PDB codes: 5mvs(A), 5mw3(A).
		6. Ligand: TLA × 2 L(+)-Tartaric acid PDB codes: 5mvs(A), 5mw3(A).
		7. Ligand: 0QJ × 1 5'-[(3-{[(4-Tert-Butylphenyl)carbamoyl]amino}propyl) (methyl)amino]-5'-Deoxyadenosine PDB code: 4ekg(A).
		8. Ligand: 3US × 1 N-[4-(Acetylamino)butyl]-5'-[(3-{[(4-Tert-Butylphenyl) carbamoyl]amino}propyl)(propan-2-Yl)amino]- 5'- Deoxyadenosine PDB code: 4wvl(A).
		9. Ligand: 5EG × 1 2-({5-[(2-Chlorophenoxy)methyl]-1h-Tetrazol-1- Yl}acetyl)-N-(4-Chlorophenyl)hydrazinecarboxamide PDB code: 5drt(A).
		10. Ligand: 5EK × 1 N-[1-(2-Chlorophenyl)-1h-Indol-6-Yl]-2-{[5-(2- Chlorophenyl)-1h-Tetrazol-1- Yl]acetyl}hydrazinecarboxamide PDB code: 5dry(A).
		11. Ligand: 5EV × 1 N~4~-Methyl-N~2~-[2-Methyl-1-(2-Phenoxyphenyl)-1h- Indol-6-Yl]pyrimidine-2,4-Diamine PDB code: 5dt2(A).
		12. Ligand: 5EW × 1 6'-Chloro-1,4-Dimethyl-5'-(2-Methyl-6-{[4- (Methylamino)pyrimidin-2-Yl]amino}-1h-Indol-1-Yl)- 3, 3'-Bipyridin-2(1h)-One PDB code: 5dsx(A).
		13. Ligand: 5F4 × 1 4-(2,6-Dichlorobenzoyl)-N-Methyl-1h-Pyrrole-2- Carboxamide PDB code: 5dtm(A).
		14. Ligand: 5F6 × 1 (2,6-Dichlorophenyl)(quinolin-6-Yl)methanone PDB code: 5dtq(A).
		15. Ligand: 5F7 × 1 N-(2,6-Dichlorophenyl)-4-Methoxy-N-Methylquinolin-6- Amine PDB code: 5dtr(A).
		16. Ligand: 5ID × 1 (2r,3r,4s,5r)-2-(4-Amino-5-Iodo-7h-Pyrrolo[2,3- D]pyrimidin-7-Yl)-5-(Hydroxymethyl)tetrahydrofuran- 3, 4-Diol PDB code: 3uwp(A).
		17. Ligand: 5JT × 1 (3r)-1-(7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)piperidin-3- Amine PDB code: 5mw3(A).
		18. Ligand: 5JU × 1 N~2~-{[2-Chloro-3-(2-Methylpyridin-3-Yl)-1- Benzothiophen-5-Yl]carbamoyl}-N-(3-{Methyl[(3r)-1-(5h- Pyrrolo[2,3-D]pyrimidin-4-Yl)piperidin-3- Yl]amino}propyl)glycinamide PDB code: 5mw4(A).
		19. Ligand: 6NR × 1 (2~{s})-2-Azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(4- Azanyl-5-Cyano-Pyrrolo[2,3-D]pyrimidin-7-Yl)- 3,4- Bis(oxidanyl)oxolan-2-Yl]methylsulfanyl]butanoic acid PDB code: 5juw(A).
		20. Ligand: AW0 × 1 5'-Deoxy-5'-[(3-{[(4-Methylphenyl) carbamoyl]amino}propyl)(propan-2-Yl)amino]adenosine PDB code: 4eqz(A).
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Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: 5F4 × 1 4-(2,6-Dichlorobenzoyl)-N-Methyl-1h-Pyrrole-2- Carboxamide PDB code: 5dtm(A).
		2. Ligand: N4W × 1 ~{N}1-[(~{S})-(3-Chlorophenyl)-Pyridin-2-Yl-Methyl]-4- Methylsulfonyl-~{N}2-Pyrimidin-2-Yl-Benzene- 1,2- Diamine PDB code: 6te6(A).
		3. Ligand: N4Z × 1 ~{N}1-[(~{S})-[2,2-Bis(fluoranyl)-1,3-Benzodioxol-4- Yl]-(3-Chloranylpyridin-2-Yl)methyl]-~{N}2-(4- Methoxy- 6-Piperazin-1-Yl-1,3,5-Triazin-2-Yl)-4-Methylsulfonyl- Benzene-1,2-Diamine PDB code: 6tel(A).
		4. Ligand: N5K × 1 3-[(4-Azanyl-6-Methoxy-1,3,5-Triazin-2-Yl)amino]-4- [[(~{S})-[2,2-Bis(fluoranyl)-1,3-Benzodioxol-4- Yl]-(3- Chloranylpyridin-2-Yl)methyl]amino]benzenesulfonamide PDB code: 6ten(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: SO4 × 3 Sulfate ion PDB codes: 4ek9(A), 4eki(A), 4er3(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4wvl(A).
		3. Ligand: O4B × 1 1,4,7,10,13,16-Hexaoxacyclooctadecane PDB code: 6in3(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4ek9(A), 4wvl(A).
		2. Ligand: ACT × 2 Acetate ion PDB codes: 1nw3(A), 3sr4(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4er3(A).
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 6in3(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4er7(A).
		2. Ligand: SO4 × 3 Sulfate ion PDB codes: 3qox(A), 4er3(A), 4wvl(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3sr4(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 6in3(A).