Ligand clusters for UniProt code Q9H7B4

Ligand clusters for Q9H7B4: Histone-lysine N-methyltransferase SMYD3 from Homo sapiens

		Top 6 (of 20) ligand clusters Cluster 1. 23 ligand types 70 ligands Cluster 2. 3 ligand types 4 ligands Cluster 3. 4 ligand types 6 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 2 ligand types 3 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 5ex0A

Structures

PDB		Schematic diagram
5ex0A
5ex3A
3oxlA
3pdnA
7bj1A
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Cluster 1 contains 23 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 22 glycerin Glycerol PDB codes: 3pdn(A), 3qwp(A), 6o9o(A), 6p6g(A), 6paf(A), 6yuh(A), 6z2r(A), 7bj1(A),
		2. Ligand: SAM × 16 ademetionine S-Adenosylmethionine PDB codes: 3mek(A), 3qwp(A), 5ccl(A), 5ccm(A), 5v37(A), 5xxd(A), 5xxg(A), 5xxj(A), 5yjo(A), 6ijl(A), 6p6k(A), 6p7z(A), 6paf(A), 6yuh(A), 6z2r(A), 7bj1(A).
		3. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5hi7(A), 5v37(A).
_Mg		4. Metal: _MG × 1 PDB code: 5hi7(A).
		5. Ligand: SAH × 8 S-Adenosyl-L-Homocysteine PDB codes: 3oxf(A), 3oxg(A), 3oxl(A), 5ex0(A), 5ex3(A), 5hq8(A), 6o9o(A), 6p6g(A).
		6. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5hq8(A), 6p6k(A).
		7. Ligand: LUP × 2 5-Cyclopropyl-N-{1-[({Trans-4-[(4,4,4-Trifluorobutyl) amino]cyclohexyl}methyl)sulfonyl]piperidin-4- Yl}-1,2- Oxazole-3-Carboxamide PDB codes: 6o9o(A), 6p6g(A).
		8. Ligand: SFG × 2 Adenosyl-Ornithine PDB codes: 3pdn(A), 3ru0(A).
		9. Ligand: 4ZW × 1 2-Oxidanylidene-N-Piperidin-4-Yl-1,3-Dihydroindole-5- Carboxamide PDB code: 5ccl(A).
		10. Ligand: 4ZX × 1 6-Chloranyl-2-Oxidanylidene-N-[(1s,5r)-8-[4- [(Phenylmethyl)amino]piperidin-1-Yl]sulfonyl-8- Azabicyclo[3.2.1]octan-3-Yl]-1,3-Dihydroindole-5- Carboxamide PDB code: 5ccm(A).
		11. Ligand: 62X × 1 5'-{[(3s)-3-Amino-3-Carboxypropyl][3-(Dimethylamino) propyl]amino}-5'-Deoxyadenosine PDB code: 5hi7(A).
		12. Ligand: 8HF × 1 Propyl (2~{r})-4-[4-Chloranyl-2-[4-(2-Oxidanylpropan-2- Yl)phenyl]quinolin-7-Yl]carbonyl-2-Methyl- Piperazine- 1-Carboxylate PDB code: 5xxj(A).
		13. Ligand: 8HR × 1 Propyl 4-(4-Chloranyl-2-Phenyl-Quinolin-7-Yl) carbonylpiperazine-1-Carboxylate PDB code: 5xxg(A).
		14. Ligand: 8NR × 1 Ethyl 4-(5,6,7,8-Tetrahydroacridin-3-Ylcarbonyl) piperazine-1-Carboxylate PDB code: 5xxd(A).
		15. Ligand: 8W0 × 1 Propyl (3~{s})-4-[[(6~{r})-6-(Aminomethyl)-5,6,7,8- Tetrahydroacridin-3-Yl]carbonyl]-3-Methyl- Piperazine- 1-Carboxylate PDB code: 5yjo(A).
		16. Ligand: 8WD × 1 N-{(3-Endo)-8-[(Trans-4-Aminocyclohexyl)sulfonyl]-8- Azabicyclo[3.2.1]octan-3-Yl}-5-Cyclopropyl- 1,2- Oxazole-3-Carboxamide PDB code: 5v37(A).
		17. Ligand: A8U × 1 Propyl (2~{r})-4-[2-[4-(1-Azanylcyclopropyl) phenyl]quinolin-7-Yl]carbonyl-2-Methyl-Piperazine-1- Carboxylate PDB code: 6ijl(A).
		18. Ligand: GLU-LYS-PHE-GLY-LYS-GLY-GLY-THR-TYR × 1 PDB code: 5hq8(A).
		19. Ligand: L0J × 1 N-{1-[(2-Aminoethyl)sulfonyl]piperidin-4-Yl}-5- Cyclopropyl-1,2-Oxazole-3-Carboxamide PDB code: 6p6k(A).
		20. Ligand: LYS-LEU-GLY-MLY-SER-LEU-GLY × 1 MLY=N-Dimethyl-Lysine. PDB code: 5ex3(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: POW × 1 diperodon Diperodon PDB code: 6yuh(A).
		2. Ligand: QKT × 2 Diperodon (s-Enantiomer) PDB codes: 6z2r(A), 7bj1(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5v37(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 6o9o(A), 6p6g(A).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5v37(A).
		3. Ligand: ACT × 2 Acetate ion PDB codes: 6z2r(A), 7bj1(A).
		4. Ligand: TYR × 1 PDB code: 5hq8(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: 4ZW × 1 2-Oxidanylidene-N-Piperidin-4-Yl-1,3-Dihydroindole-5- Carboxamide PDB code: 5ccl(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3pdn(A), 3qwp(A).
		2. Ligand: ACY × 1 acetic acid Acetic acid PDB code: 5ex0(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: ACY × 1 acetic acid Acetic acid PDB code: 5ex0(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5v37(A).