Ligand clusters for UniProt code Q86C09

Ligand clusters for Q86C09: Farnesyl pyrophosphate synthase (Fragment) from Trypanosoma brucei

		Top 6 (of 11) ligand clusters Cluster 1. 34 ligand types 108 ligands Cluster 2. 7 ligand types 7 ligands Cluster 3. 3 ligand types 5 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 2 ligand types 2 ligands
Representative protein: 2ewgA

Structures

PDB		Schematic diagram
2ewgA
3efqA
5qtcA
5qtdA
6r38A
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Cluster 1 contains 34 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
_Mg		1. Metal: _MG × 45 PDB codes: 2ewg(A), 2i19(A), 2ogd(A), 2p1c(A), 3dyf(A), 3dyg(A), 3dyh(A), 3efq(A), 3egt(A), 4rxc(A), 4rxd(A), 4rxe(A), 5ael(A), 5afx(A), 5ahu(B),
		2. Ligand: DMS × 12 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5qt4(A), 5qt5(A), 5qt6(A), 5qt7(A), 5qt8(A), 5qt9(A), 5qta(A), 5qtb(A), 5qtc(A), 6r36(A), 6r37(A), 6r38(A).
		3. Ligand: GOL × 7 glycerin Glycerol PDB codes: 5qtd(A), 5qte(A), 5qtf(A), 5qtg(A), 5qth(A), 5qti(A), 5qtj(A).
		4. Ligand: RIS × 1 risedronic acid 1-Hydroxy-2-(3-Pyridinyl)ethylidene bis-Phosphonic acid PDB code: 4rxd(A).
		5. Ligand: PO4 × 8 Phosphate ion PDB codes: 5qtd(A), 5qte(A), 5qtf(A), 5qtg(A), 5qth(A), 5qti(A), 5qtj(A), 5qtk(A).
		6. Ligand: ACT × 5 Acetate ion PDB codes: 2ogd(A), 2p1c(A), 3dyg(A).
		7. Ligand: HRX × 2 [1-Hydroxy-3-(Pyridin-3-Yl)propane-1,1- Diyl]bis(phosphonic acid) PDB codes: 4rxc(A),
		8. Ligand: NI9 × 2 3-Fluoro-1-(2-Hydroxy-2,2-Diphosphonoethyl)pyridinium PDB codes: 3dyf(A), 3dyg(A).
		9. Ligand: 1BY × 1 [2-(Pyridin-2-Ylamino)ethane-1,1-Diyl]bis(phosphonic acid) PDB code: 2i19(A).
		10. Ligand: 3N2 × 1 (5-Chloro-1-Benzothiophen-3-Yl)acetic acid PDB code: 6r37(A).
		11. Ligand: 3YQ × 1 {[(3-Methylpyridin-2-Yl) amino]methanediyl}bis(phosphonic acid) PDB code: 4rxe(A).
		12. Ligand: 714 × 1 1-(2,2-Diphosphonoethyl)-3-(Octyloxy)pyridinium PDB code: 3efq(A).
		13. Ligand: 721 × 1 3-Butoxy-1-(2,2-Diphosphonoethyl)pyridinium PDB code: 3dyh(A).
		14. Ligand: 722 × 1 1-(2,2-Diphosphonoethyl)-3-(Heptyloxy)pyridinium PDB code: 3egt(A).
		15. Ligand: BFH × 1 1-(Carboxymethyl)-1h-Benzo[g]indole-2-Carboxylic acid PDB code: 6r39(A).
		16. Ligand: G76 × 1 [2-(1-Heptyl-1h-Imidazol-3-Ium-3-Yl)ethane-1,1- Diyl]bis(phosphonate) PDB code: 5ahu(B).
		17. Ligand: GG3 × 1 {1-Hydroxy-3-[Methyl(4-Phenylbutyl)amino]propane-1,1- Diyl}bis(phosphonic acid) PDB code: 2p1c(A).
		18. Ligand: IPR × 1 Isopentyl pyrophosphate PDB code: 3dyf(A).
		19. Ligand: JNE × 1 6-Methyl-~{N}-(Phenylmethyl)pyridin-2-Amine PDB code: 5qt6(A).
		20. Ligand: JQE × 1 2-[2,5-Bis(chloranyl)-1-Benzothiophen-3-Yl]ethanoic acid PDB code: 6r38(A).
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Cluster 2 contains 7 ligand types

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Ligand		Description
		1. Ligand: 714 × 1 1-(2,2-Diphosphonoethyl)-3-(Octyloxy)pyridinium PDB code: 3efq(A).
		2. Ligand: 721 × 1 3-Butoxy-1-(2,2-Diphosphonoethyl)pyridinium PDB code: 3dyh(A).
		3. Ligand: 722 × 1 1-(2,2-Diphosphonoethyl)-3-(Heptyloxy)pyridinium PDB code: 3egt(A).
		4. Ligand: G76 × 1 [2-(1-Heptyl-1h-Imidazol-3-Ium-3-Yl)ethane-1,1- Diyl]bis(phosphonate) PDB code: 5ahu(B).
		5. Ligand: GG3 × 1 {1-Hydroxy-3-[Methyl(4-Phenylbutyl)amino]propane-1,1- Diyl}bis(phosphonic acid) PDB code: 2p1c(A).
		6. Ligand: PVZ × 1 [1-Hydroxy-2-(1-Nonyl-1h-3lambda~5~-Imidazol-3-Yl) ethane-1,1-Diyl]bis(phosphonic acid) PDB code: 5afx(A).
		7. Ligand: QAF × 1 {2-[3-(Hex-1-Yn-1-Yl)pyridinium-1-Yl]ethane-1,1- Diyl}bis(phosphonate) PDB code: 5ael(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6sii(A).
		2. Ligand: MPD × 3 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 2ogd(A), 3dyf(A), 3dyg(A).
		3. Ligand: PK4 × 1 2-Fluoro-N,3-Dimethylbenzene-1-Sulfonamide PDB code: 5qtg(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: PK7 × 1 1-(3-Chloro-4-Fluorophenyl)methanamine PDB code: 5qtf(A).
		2. Ligand: PKD × 1 (4s)-3-(4-Chlorobenzene-1-Carbonyl)-1,3-Thiazolidine-4- Carboxylic acid PDB code: 5qte(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: PJ4 × 1 (1s)-3-Chloro-1-(4-Methylpiperazin-1-Yl)-1,4- Dihydroisoquinoline PDB code: 5qt9(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6r36(A).
		2. Ligand: PJG × 1 N~1~-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]decan-1- Yl]ethane-1,2-Diamine PDB code: 5qtb(A).