Ligand clusters for UniProt code Q4Q5S8

Ligand clusters for Q4Q5S8: Glycylpeptide N-tetradecanoyltransferase from Leishmania major

		2 ligand clusters Cluster 1. 53 ligand types 122 ligands Cluster 2. 1 ligand type 6 ligands
Representative protein: 2wsaA

Structures

PDB		Schematic diagram
2wsaA
3h5zA
6qdbA
4cynA
4cypA
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Cluster 1 contains 53 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
_Mg		1. Metal: _MG × 15 PDB codes: 4c7h(A), 4c7i(A), 4cgl(A), 4cgm(A), 4cgn(A), 4cgo(A), 4cgp(A), 4cyn(A), 4cyo(A), 4cyp(A), 4cyq(A), 5a27(A), 5a28(A), 5g20(A), 5g21(A).
		2. Ligand: DMS × 6 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 4c7h(A), 4c7i(A), 5g20(A), 6qdd(A).
		3. Ligand: MYA × 46 Tetradecanoyl-Coa PDB codes: 2wsa(A), 3h5z(A), 4a2z(A), 4a30(A), 4a31(A), 4a32(A), 4a33(A), 4c7h(A), 4c7i(A), 4cgl(A), 4cgm(A), 4cgn(A), 4cgo(A), 4cgp(A), 4cyn(A), 4cyo(A), 4cyp(A), 4cyq(A), 4ucm(A), 4ucn(A), 4ucp(A), 5a27(A), 5a28(A), 5ag4(A), 5ag5(A), 5ag6(A), 5ag7(A), 5age(A), 5g20(A), 5g21(A), 6eu5(A), 6ewf(A), 6gnh(A), 6gns(A), 6gnt(A), 6gnu(A), 6gnv(A), 6qd9(A), 6qda(A), 6qdb(A), 6qdc(A), 6qdd(A), 6qde(A), 6qdf(A), 6qdg(A), 6qdh(A).
		4. Ligand: 6KV × 2 3-[Methyl-[2-[Methyl-(1-Methylpiperidin-4-Yl) amino]thieno[3,2-D]pyrimidin-4- Yl]amino] propanenitrile PDB codes: 4cgo(A),
		5. Ligand: HWQ × 2 3-[Methyl-[2-[Methyl(piperidin-4-Yl)amino]thieno[3,2- D]pyrimidin-4-Yl]amino]propanenitrile PDB codes: 6qdb(A),
		6. Ligand: HWW × 2 3-[[6-~{Tert}-Butyl-2-[3-(Dimethylamino)propyl-Methyl- Amino]thieno[3,2-D]pyrimidin-4-Yl]-Methyl- Amino]propanenitrile PDB codes: 6qde(A),
		7. Ligand: HWZ × 2 3-[Methyl-[2-[Methyl-(1-Methylpiperidin-4-Yl) amino]quinazolin-4-Yl]amino]propanenitrile PDB codes: 6qda(A),
		8. Ligand: HXE × 2 3-[[2-[(1-Ethylpiperidin-4-Yl)-Methyl-Amino]thieno[3,2- D]pyrimidin-4-Yl]-Methyl- Amino]propanenitrile PDB codes: 6qdc(A),
		9. Ligand: 2CB × 1 6-{[2-(4-Methylpiperazin-1-Yl)ethyl]amino}-N-(1,3,5- Trimethyl-1h-Pyrazol-4-Yl)pyridine-3- Sulfonamide PDB code: 4a31(A).
		10. Ligand: 2CD × 1 3,5-Dichloro-3'-[(Diethylamino)methyl]-N-(1,3,5- Trimethyl-1h-Pyrazol-4-Yl)biphenyl-4-Sulfonamide PDB code: 4a32(A).
		11. Ligand: 31A × 1 N-[2-(3-Methoxyphenyl)ethanimidoyl]-2-Piperidin-4- Yloxy-Benzamide PDB code: 6ewf(A).
		12. Ligand: 5PE × 1 (2r)-2-(4-Hydroxy-3-Methoxyphenyl)-3- (Pyridin-2-Ylmethyl)-1,3-Thiazolidin-4-One PDB code: 5ag6(A).
		13. Ligand: 646 × 1 2,6-Dichloro-4-(2-Piperazin-1-Ylpyridin-4-Yl) -N-(1,3,5-Trimethyl-1h-Pyrazol-4- Yl) benzenesulfonamide PDB code: 2wsa(A).
		14. Ligand: 7AH × 1 2-(4-Fluorophenyl)-N-(3-Piperidin-4-Yl-1h- Indol-5-Yl)ethanamide PDB code: 4cgn(A).
		15. Ligand: 9X3 × 1 N-Methyl-1-[3-(Morpholin-4-Ylmethyl)phenyl] methanamine PDB code: 4ucp(A).
		16. Ligand: A62 × 1 (3r)-4-(4-Chlorophenyl)-1-[(3s,4r)-3-(4- Chlorophenyl)-4-(Hydroxymethyl)pyrrolidin-1-Yl]-3- Hydroxybutan-1-One PDB code: 4cyp(A).
		17. Ligand: A6K × 1 (3r)-3-Azanyl-4-(4-Chlorophenyl)-1-[(3s,4r)- 3-(4-Chlorophenyl)-4-(Hydroxymethyl) pyrrolidin-1- Yl]butan-1-One PDB code: 4cgl(A).
		18. Ligand: A6M × 1 (3r)-3-Amino-4-(4-Chlorophenyl)-1-[(3r,4s)-3- (4-Chlorophenyl)-4-(Hydroxymethyl)pyrrolidin- 1- Yl]butan-1-One PDB code: 4cyn(A).
		19. Ligand: BXN × 1 4-[3-[(8~{a}~{r})-3,4,6,7,8,8~{a}-Hexahydro-1~{h}- Pyrrolo[1,2-A]pyrazin-2-Yl]propyl]-2,6- Bis(chloranyl)- ~{N}-Methyl-~{N}-(1,3,5-Trimethylpyrazol-4-Yl) benzenesulfonamide PDB code: 6eu5(A).
		20. Ligand: COA × 1 Coenzyme a PDB code: 4c7h(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 4a2z(A), 4a30(A), 4a31(A), 4a32(A), 6gnt(A), 6gnv(A).