Ligand clusters for UniProt code O14744

Ligand clusters for O14744: Protein arginine N-methyltransferase 5 from Homo sapiens

		Top 6 (of 20) ligand clusters Cluster 1. 24 ligand types 40 ligands Cluster 2. 3 ligand types 3 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 3 ligand types 12 ligands Cluster 5. 2 ligand types 4 ligands Cluster 6. 1 ligand type 4 ligands
Representative protein: 4gqbA

Structures

PDB		Schematic diagram
4gqbA
5emkA
5c9zA
5emlA
4x61A
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Cluster 1 contains 24 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: SAM × 3 ademetionine S-Adenosylmethionine PDB codes: 4x61(A), 5eml(A), 7l1g(A).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6k1s(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 6uxy(A).
		4. Ligand: SFG × 8 Sinefungin PDB codes: 4x60(A), 5c9z(A), 5emj(A), 5emk(A), 5emm(A), 6v0n(A), 6v0o(A), 6v0p(A).
		5. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 6k1s(A), 7kib(A), 7kic(A), 7l1g(A),
		6. Ligand: 3XV × 3 N-[(2s)-3-(3,4-Dihydroisoquinolin-2(1h)-Yl)-2- Hydroxypropyl]-6-(Oxetan-3-Ylamino)pyrimidine-4- Carboxamide PDB codes: 4x60(A), 4x61(A), 4x63(A).
		7. Ligand: 0XU × 1 (2s,5s,6e)-2,5-Diamino-6-[(3s,4r,5r)-5-(6-Amino-9h- Purin-9-Yl)-3,4-Dihydroxydihydrofuran-2(3h)- Ylidene]hexanoic acid PDB code: 4gqb(A).
		8. Ligand: 4Z2 × 1 2-(Cyclobutylamino)-N-[(2s)-3-(3,4-Dihydroisoquinolin- 2(1h)-Yl)-2-Hydroxypropyl]pyridine-4- Carboxamide PDB code: 5c9z(A).
		9. Ligand: 5QH × 1 ~{N}-[(2~{s})-3-(3,4-Dihydro-1~{h}-Isoquinolin-2-Yl)-2- Oxidanyl-Propyl]-3-Pyridin-2-Yl-Benzamide PDB code: 5emk(A).
		10. Ligand: 5QJ × 1 (2~{s})-1-(3,4-Dihydro-1~{h}-Isoquinolin-2-Yl)-3-[[4- (3-Methylbenzimidazol-5-Yl)pyridin-2- Yl]amino]propan- 2-Ol PDB code: 5emj(A).
		11. Ligand: 5QK × 1 ~{N}-[(2~{r})-3-(3,4-Dihydro-1~{h}-Isoquinolin-2-Yl)-2- Oxidanyl-Propyl]-2-Quinolin-8-Yloxy- Ethanamide PDB code: 5eml(A).
		12. Ligand: 5QL × 1 ~{N}-[(2~{s})-3-(3,4-Dihydro-1~{h}-Isoquinolin-2-Yl)-2- Oxidanyl-Propyl]-3-(Oxan-4- Ylamino)benzamide PDB code: 5emm(A).
		13. Ligand: ACE-SER-GLY-ARG-GLY-LYS-GLY-GLY-LYS × 1 ACE=Acetyl group. PDB code: 4gqb(A).
		14. Ligand: ARG × 1 PDB code: 5fa5(A).
		15. Ligand: CUX × 1 2-[[7-[(2~{r},3~{r},4~{s},5~{r})-5-[(~{R})-(4- Chlorophenyl)-Oxidanyl-Methyl]-3,4- Bis(oxidanyl) oxolan-2-Yl]pyrrolo[2,3-D]pyrimidin-4-Yl]amino]ethanal PDB code: 6k1s(A).
		16. Ligand: F5J × 1 7-[(5r)-5-C-Phenyl-Beta-D-Ribofuranosyl]-7h-Pyrrolo[2, 3-D]pyrimidin-4-Amine PDB code: 6ckc(A).
		17. Ligand: K8H × 1 (2~{r},3~{r},4~{s},5~{r})-2-(4-Azanylpyrrolo[2,3- D]pyrimidin-7-Yl)-5-(1,8-Diazaspiro[4.5]decan-1- Ylmethyl)oxolane-3,4-Diol PDB code: 6rll(A).
		18. Ligand: K8N × 1 (1~{s},2~{r},3~{s},5~{r})-3-[2-(2-Azanyl-3-Bromanyl- Quinolin-7-Yl)ethyl]-5-(4-Azanylpyrrolo[2,3- D]pyrimidin-7-Yl)cyclop entane-1,2-Diol PDB code: 6rlq(A).
		19. Ligand: MTA × 1 5'-Deoxy-5'-Methylthioadenosine PDB code: 5fa5(A).
		20. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 7kib(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: QN4 × 1 2-(5-Chloro-6-Oxopyridazin-1(6h)-Yl)-N-(4-Methyl-3- Sulfamoylphenyl)acetamide PDB code: 6v0p(A).
		2. Ligand: THR-VAL-ALA-GLY-GLN-PHE-GLU-ASP-ALA-ASP × 1 PDB code: 6v0o(A).
		3. Ligand: VAL-VAL-PRO-GLY-GLN-PHE-ASP-ASP-ALA-ASP × 1 PDB code: 6v0n(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: QKY × 1 (5r)-2-Amino-5-(2-Cyclohexylethyl)-3-Methyl-5-Phenyl-3, 5-Dihydro-4h-Imidazol-4-One PDB code: 6uxy(A).
		2. Ligand: QL1 × 1 (5r)-2-Amino-5-(4-Methoxyphenyl)-3-Methyl-5-[(3s,5s, 7s)-Tricyclo[3.3.1.1~3,7~]decan-1-Yl]-3,5- Dihydro-4h- Imidazol-4-One PDB code: 6uxx(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 8 glycerin Glycerol PDB codes: 4x60(A), 4x61(A), 5c9z(A), 5emj(A), 5emk(A), 5eml(A), 5emm(A), 6v0p(A).
		2. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 7kic(A), 7kid(A), 7l1g(A).
		3. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 7kib(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4x60(A), 5emj(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 7kib(A), 7l1g(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 4x60(A), 5emj(A), 5emk(A), 5emm(A).