Ligand clusters for UniProt code P00798

Ligand clusters for P00798: Penicillopepsin-1 OS=Penicillium janthinellum PE=1 SV=2

		Top 6 (of 9) ligand clusters Cluster 1. 14 ligand types 16 ligands Cluster 2. 4 ligand types 11 ligands Cluster 3. 1 ligand type 13 ligands Cluster 4. 1 ligand type 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 1aptE

Structures

PDB		Schematic diagram
1aptE
1bxqA
2weaA
1ppkE
2webA
		more ...

Cluster 1 contains 14 ligand types

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Ligand		Description
		1. Ligand: DMF × 2 Dimethylformamide PDB codes: 1apv(E), 1ppk(E).
		2. Ligand: PP6 × 2 Methyl[cyclo-7[(2r)-((N-Valyl)amino)-2-(Hydroxyl-(1s)- 1-Methyloxycarbonyl-2- Phenylethoxy)phosphinyloxy- Ethyl]-1-Naphthaleneacetamide] PDB codes: 2wea(A), 2wed(A).
		3. Ligand: 0P1 × 1 N-[(Benzyloxy)carbonyl]-L-Alanyl-N-{(1s)-1-[(R)-[(1r)- 1-Benzyl-2-Methoxy-2- Oxoethoxy](hydroxy)phosphoryl]-3- Methylbutyl}-L-Alaninamide PDB code: 1ppm(E).
		4. Ligand: 1Z7 × 1 N-(3-Methylbutanoyl)-L-Valyl-N-{(1s)-1-[(R)-[(1r)-1- Benzyl-2-Methoxy-2- Oxoethoxy](hydroxy)phosphoryl]-3- Methylbutyl}-L-Valinamide PDB code: 1ppl(E).
		5. Ligand: ACT × 1 Acetate ion PDB code: 1bxq(A).
		6. Ligand: IVA-VAL-VAL-32L × 1 IVA=Isovaleric acid, 32L=Ethyl (3s,4s)-4-Amino-3-Hydroxy-6-Methylheptanoate. PDB code: 1apu(E).
		7. Ligand: IVA-VAL-VAL-DFI-NME × 1 IVA=Isovaleric acid, DFI=2,2-Difluorostatine, NME=Methylamine. PDB code: 1apw(E).
		8. Ligand: IVA-VAL-VAL-DFO-NME × 1 IVA=Isovaleric acid, DFO=2,2-Difluoro-3-Hydrostatine, NME=Methylamine. PDB code: 1apv(E).
		9. Ligand: IVA-VAL-VAL-LTA × 1 IVA=Isovaleric acid, LTA=4,8-Diamino-3-Hydroxy-Octanoic acid ethyl ester. PDB code: 1apt(E).
		10. Ligand: IVV × 1 N-(3-Methylbutanoyl)-L-Valyl-N-{(1r)-1-[(R)-(2-Ethoxy- 2-Oxoethyl)(hydroxy)phosphoryl]-3- Methylbutyl}-L- Valinamide PDB code: 1ppk(E).
		11. Ligand: PP4 × 1 Methyl (2s)-[1-((N-Formyl)-L-Valyl)amino-2-(2- Naphthyl)ethyl)hydroxyphosphinyloxy]-3- Phenyl propanoate PDB code: 2web(A).
		12. Ligand: PP5 × 1 Methyl (2s)-[1-((N-(Naphthaleneacetyl))-L-Valyl) aminomethyl)hydroxyphosphinyloxy]-3- Phenyl propanoate PDB code: 2wec(A).
		13. Ligand: PP7 × 1 Methyl cyclo[(2s)-2-[[(1r)-1-(N-(L-N-(3- Methylbutanoyl)valyl-L-Aspartyl)amino)-3- Methylbutyl]hydroxyphosphinyloxy]-3-(3-Aminomethyl) phenylpropanoate PDB code: 1bxo(A).
		14. Ligand: PP8 × 1 2-[(1r)-1-(N-(3-Methylbutanoyl)-L-Valyl-L-Asparaginyl)- Amino)-3-Methylbutyl]hydroxyphosphinyloxy]- 3- Phenylpropanoic acid methylester PDB code: 1bxq(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: MAN × 6 Alpha-D-Mannose PDB codes: 1bxo(A), 1bxq(A), 2wea(A), 2web(A), 2wec(A), 2wed(A).
		2. Ligand: HSY × 2 Alpha-L-Xylopyranose PDB codes: 1apw(E), 1ppk(E).
		3. Ligand: XYS × 2 Xylopyranose PDB codes: 1apv(E), 1ppl(E).
		4. Ligand: ARA × 1 Alpha-L-Arabinose PDB code: 1ppm(E).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: MAN × 13 Alpha-D-Mannose PDB codes: 1apt(E), 1apu(E), 1apv(E), 1apw(E), 1bxo(A), 1bxq(A), 1ppk(E), 1ppl(E), 1ppm(E), 2wea(A), 2web(A), 2wec(A), 2wed(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 1bxo(A), 1bxq(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1bxo(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1bxq(A).