Ligand clusters for UniProt code P23687

Ligand clusters for P23687: Prolyl endopeptidase from Sus scrofa

		Top 6 (of 19) ligand clusters Cluster 1. 20 ligand types 32 ligands Cluster 2. 2 ligand types 14 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 23 ligands Cluster 5. 1 ligand type 4 ligands Cluster 6. 1 ligand type 16 ligands
Representative protein: 1e5tA

Structures

PDB		Schematic diagram
1e5tA
1uopA
1e8nA
1h2xA
3eq7A
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Cluster 1 contains 20 ligand types

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Ligand		Description
		1. Ligand: GOL × 9 glycerin Glycerol PDB codes: 1e5t(A), 1h2x(A), 1vz2(A), 1vz3(A), 2xdw(A), 4bcb(A), 4bcc(A), 4bcd(A).
		2. Ligand: GLY-PRO-SIN × 3 SIN=Succinic acid. PDB codes: 1h2z(A), 1o6f(A), 1o6g(A).
		3. Ligand: SGL × 2 1-Hydroxy-1-Thio-Glycerol PDB codes: 1qfm(A),
		4. Ligand: ZPR × 2 N-Benzyloxycarbonyl-L-Prolyl-L-Prolinal PDB codes: 1h2y(A), 1qfs(A).
		5. Ligand: 2P2 × 1 1-[(2r,5s)-2-Tert-Butyl-5-({(2s)-2-[(1r)-1,2- Dihydroxyethyl]pyrrolidin-1-Yl}carbonyl) pyrrolidin- 1-Yl]-4-Phenylbutan-1-One PDB code: 4amy(A).
		6. Ligand: 2P4 × 1 (5r)-N-Benzyl-5-({(2s)-2-[(1r)-1,2- Dihydroxyethyl]pyrrolidin-1-Yl}carbonyl)cyclopent-1- Ene-1- Carboxamide PDB code: 4amz(A).
		7. Ligand: 2P6 × 1 (2s)-1-[1-(4-Phenylbutanoyl)-L-Prolyl]pyrrolidine-2- Carbonitrile PDB code: 4an0(A).
		8. Ligand: 2P8 × 1 (2s)-N-Benzyl-2-({(2s)-2-[(1r)-1,2- Dihydroxyethyl]pyrrolidin-1-Yl}carbonyl)pyrrolidine-1- Carboxamide PDB code: 4an1(A).
		9. Ligand: 4I4 × 1 (5r,6r,8s)-8-(3-{[Amino(imino)methyl]amino} phenyl)-5-Cyclohexyl-6-Hydroxy-3-Oxo-1-Phenyl- 2,7- Dioxa-4-Aza-6-Phosphanonan-9-Oic acid 6- Oxide PDB code: 4bcb(A).
		10. Ligand: BE2-GLY-PHE-GLY-PRO-PHE-GLY × 1 BE2=2-Aminobenzoic acid. PDB code: 1e8n(A).
		11. Ligand: GLU-PHE-SER-PRO × 1 PDB code: 1uoq(A).
		12. Ligand: GLY-PHE-ARG-PRO × 1 PDB code: 1uoo(A).
		13. Ligand: GLY-PHE-GLU-PRO × 1 PDB code: 1uop(A).
		14. Ligand: JKT × 1 Tert-Butyl n-[[1-[(3s,5s)-5-[(2s)-2- [Azanyl(oxidanyl)methyl]pyrrolidin-1-Yl]carbonyl-1-(4- Phenylbutanoyl)pyrrolidin-3-Yl]-1,2,3- Triazol-4-Yl]methyl]carbamate PDB code: 4bcc(A).
		15. Ligand: P0H × 1 N-[(Benzyloxy)carbonyl]glycyl-L-Proline PDB code: 1e8m(A).
		16. Ligand: PHQ-PRO-YCP × 1 PHQ=Benzyl chlorocarbonate, YCP=(2s)-Piperidine-2-Carboxylic acid. PDB code: 2xdw(A).
		17. Ligand: TDV × 1 1-[(2s,4s)-4-[4-(4-Fluorophenyl)-1,2,3- Triazol-1-Yl]-2-Pyrrolidin-1-Ylcarbonyl-Pyrrolidin- 1-Yl]- 4-Phenyl-Butan-1-One PDB code: 4bcd(A).
		18. Ligand: X97 × 1 3-{4-Oxo-4-[(2s)-2-(Pyrrolidin-1-Ylcarbonyl)pyrrolidin- 1-Yl]butyl}-5,5-Diphenylimidazolidine-2,4- Dione PDB code: 3eq9(A).
		19. Ligand: X98 × 1 1-{3-Oxo-3-[(2s)-2-(Pyrrolidin-1-Ylcarbonyl)pyrrolidin- 1-Yl]propyl}-3-Phenylquinoxalin-2(1h)-One PDB code: 3eq8(A).
		20. Ligand: X99 × 1 2-{3-[(2s)-4,4-Difluoro-2-(Pyrrolidin-1-Ylcarbonyl) pyrrolidin-1-Yl]-3-Oxopropyl}-Isoindole- 1,3(2h)-Dione PDB code: 3eq7(A).
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 10 glycerin Glycerol PDB codes: 1e5t(A), 1e8n(A), 1qfm(A), 1uop(A), 1uoq(A), 1vz2(A), 4amy(A), 4amz(A), 4an0(A), 4an1(A).
		2. Ligand: TAM × 4 Tris(hydroxyethyl)aminomethane PDB codes: 2xdw(A), 4bcb(A), 4bcc(A), 4bcd(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1vz3(A).
		2. Ligand: SGM × 1 Monothioglycerol PDB code: 1qfm(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 23 glycerin Glycerol PDB codes: 1e5t(A), 1e8m(A), 1e8n(A), 1h2w(A), 1h2x(A), 1h2y(A), 1h2z(A), 1o6f(A), 1qfm(A), 1uoo(A), 1uop(A), 1uoq(A), 1vz2(A), 1vz3(A), 2xdw(A), 4amy(A), 4amz(A), 4an0(A), 4an1(A), 4ax4(A), 4bcb(A), 4bcc(A), 4bcd(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 1e5t(A), 1e8n(A), 1qfm(A), 1uop(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 16 glycerin Glycerol PDB codes: 1e5t(A), 1e8n(A), 1h2x(A), 1h2y(A), 1o6f(A), 1uop(A), 1vz2(A), 1vz3(A), 2xdw(A), 4amz(A), 4an0(A), 4an1(A), 4ax4(A), 4bcb(A), 4bcc(A), 4bcd(A).