Ligand clusters for UniProt code P00761

Ligand clusters for P00761: Trypsin OS=Sus scrofa OX=9823 PE=1 SV=1

		Top 6 (of 21) ligand clusters Cluster 1. 17 ligand types 42 ligands Cluster 2. 4 ligand types 13 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 5 ligand types 8 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 1h9hE

Structures

PDB		Schematic diagram
1h9hE
1fniA
1qquA
1avxA
1c9pA
		more ...

Cluster 1 contains 17 ligand types

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Ligand		Description
		1. Ligand: EDO × 12 1,2-Ethanediol PDB codes: 1s6f(A), 1s81(A), 1s82(A), 1s84(A),
		2. Ligand: SO4 × 5 Sulfate ion PDB codes: 1fmg(A), 1fn6(A), 1fni(A), 1s6h(A), 4doq(A).
		3. Ligand: ACE-PRO-ARG × 4 ACE=Acetyl group. PDB codes: 5xw1(A), 5xw8(A), 5xw9(A), 5xwa(A).
		4. Ligand: ACT × 3 Acetate ion PDB codes: 1qqu(A), 1uhb(A), 1v6d(A).
		5. Ligand: PG3 × 3 Guanidine-3-Propanol PDB codes: 1s5s(A), 2a31(A), 2a32(A).
		6. Ligand: ACE-THR-ARG × 2 ACE=Acetyl group. PDB codes: 5xwj(A), 5xwl(A).
		7. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 5xw1(A), 5xw8(A).
_Na		8. Metal: _NA × 2 PDB codes: 1s81(A), 1s82(A).
		9. Ligand: 4BZ × 1 4-(Hydroxymethyl)benzamidine PDB code: 1s6h(A).
		10. Ligand: 4HA × 1 4-Hydroxybutan-1-Aminium PDB code: 1s83(A).
		11. Ligand: CYS-TYR-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2 × 1 NH2=Amino group. PDB code: 1yf4(A).
		12. Ligand: DYB × 1 4-(1,3,2-Dioxaborolan-2-Yloxy)butan-1-Aminium PDB code: 1s84(A).
		13. Ligand: GLY-LYS-ASP-SER-CYS-GLN-GLY-ASP-SER × 1 PDB code: 1uhb(A).
		14. Ligand: PBC × 1 Phenyl boronic acid PDB code: 2a32(A).
		15. Ligand: SBE × 1 1,3,2-Dioxaborolan-2-Ol PDB code: 1s82(A).
		16. Ligand: SBP × 1 [3-(1,3,2-Dioxaborolan-2-Yloxy)propyl]guanidine PDB code: 1s6f(A).
		17. Ligand: SBZ × 1 [4-(1,3,2-Dioxaborolan-2-Yloxy)methyl]benzamidine PDB code: 1s85(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1s5s(A).
		2. Ligand: SO4 × 8 Sulfate ion PDB codes: 1s6f(A), 1s6h(A), 1s81(A), 1s82(A), 1s83(A), 1s84(A), 1s85(A), 2a31(A).
		3. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 1s6f(A), 1s81(A), 1s84(A).
		4. Ligand: PRO-ASP-AIB-LEU-AIB-LEU-ALA × 1 AIB=Alpha-Aminoisobutyric acid. PDB code: 1v6d(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: XPE × 1 3,6,9,12,15,18,21,24,27-Nonaoxanonacosane-1,29-Diol PDB code: 4doq(A).

Cluster 4 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 1s5s(A),
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 1s6f(A), 1s82(A).
		3. Ligand: SO4 × 2 Sulfate ion PDB codes: 1s84(A), 4doq(A).
		4. Ligand: BO4 × 1 Borate ion PDB code: 2a31(A).
		5. Ligand: PBC × 1 Phenyl boronic acid PDB code: 2a32(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: CXS × 1 3-Cyclohexyl-1-Propylsulfonic acid PDB code: 2a32(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: CXS × 1 3-Cyclohexyl-1-Propylsulfonic acid PDB code: 2a32(A).