Ligand clusters for UniProt code Q8IL11

Ligand clusters for Q8IL11: M17 leucyl aminopeptidase from Plasmodium falciparum (isolate 3D7)

		Top 6 (of 11) ligand clusters Cluster 1. 12 ligand types 40 ligands Cluster 2. 2 ligand types 22 ligands Cluster 3. 2 ligand types 5 ligands Cluster 4. 1 ligand type 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 7 ligands
Representative protein: 3t8wA

Structures

PDB		Schematic diagram
3t8wA
3kr5A
3kqzA
4r7mA
4r6tA
		more ...

Cluster 1 contains 12 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 18 PDB codes: 3kqx(A), 3kqz(A), 3kr4(A), 3kr5(A), 3t8w(A), 4k3n(A), 4r6t(A), 4r76(A), 4r7m(A), 4x2t(A),
_Mg		2. Metal: _MG × 1 PDB code: 3kr4(A).
		3. Ligand: CO3 × 10 Carbonate ion PDB codes: 3kqx(A), 3kqz(A), 3kr4(A), 3kr5(A), 3t8w(A), 4k3n(A), 4r6t(A), 4r76(A), 4r7m(A), 4x2t(A).
		4. Ligand: 1PE × 3 Pentaethylene glycol PDB codes: 3kqx(A), 3kqz(A), 4r7m(A).
		5. Ligand: 1OT × 1 {(R)-Amino[4-(1h-Pyrazol-1-Yl)phenyl]methyl}phosphonic acid PDB code: 4k3n(A).
		6. Ligand: 3MW × 1 4-Amino-N-{(1r)-2-(Hydroxyamino)-2-Oxo-1-[4-(1h- Pyrazol-1-Yl)phenyl]ethyl}benzamide PDB code: 4r7m(A).
		7. Ligand: BES × 1 2-(3-Amino-2-Hydroxy-4-Phenyl-Butyrylamino)-4-Methyl- Pentanoic acid PDB code: 3kr4(A).
		8. Ligand: BEY × 1 (2s)-3-[(R)-[(1s)-1-Amino-3-Phenylpropyl](hydroxy) phosphoryl]-2-Benzylpropanoic acid PDB code: 3kr5(A).
		9. Ligand: DGZ × 1 N-((2r,3s,6s,18s,21s)-2-Amino-18-(4-Benzoylbenzyl)-21- Carbamoyl-3-Hydroxy-6-(Naphthalen-2- Ylmethyl)-4,7,16, 19-Tetraoxo-1-Phenyl-11,14-Dioxa-5,8,17,20- Tetraazapentacosan-25-Yl)hex-5- Ynamide PDB code: 3t8w(A).
		10. Ligand: R5T × 1 Tert-Butyl {(1s)-2-(Hydroxyamino)-2-Oxo-1-[4-(1h- Pyrazol-1-Yl)phenyl]ethyl}carbamate PDB code: 4r6t(A).
		11. Ligand: R5X × 1 3-Amino-N-{(1r)-2-(Hydroxyamino)-2-Oxo-1-[4-(1h- Pyrazol-1-Yl)phenyl]ethyl}benzamide PDB code: 4r76(A).
		12. Ligand: TOD × 1 (2s)-({(2r)-2-[(1s)-1-Hydroxy-2-(Hydroxyamino)-2- Oxoethyl]-4- Methylpentanoyl}amino)(phenyl)ethanoic acid PDB code: 4x2t(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: 1PE × 15 Pentaethylene glycol PDB codes: 3kqx(A), 3kqz(A), 3kr4(A), 3kr5(A), 3t8w(A), 4k3n(A), 4r6t(A), 4r7m(A), 4x2t(A).
		2. Ligand: SO4 × 7 Sulfate ion PDB codes: 3kqx(A), 3kqz(A), 3kr4(A), 3kr5(A), 3t8w(A), 4k3n(A), 4r6t(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: 1PE × 3 Pentaethylene glycol PDB codes: 3kqx(A), 3kqz(A), 3t8w(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 4k3n(A), 4x2t(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: 1PE × 2 Pentaethylene glycol PDB codes: 3kqx(A), 3kqz(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 4k3n(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 7 Sulfate ion PDB codes: 3kqx(A), 3kqz(A), 3kr4(A), 3kr5(A), 3t8w(A), 4k3n(A), 4r6t(A).