Ligand clusters for UniProt code P03952

Ligand clusters for P03952: Plasma kallikrein from Homo sapiens

		Top 6 (of 37) ligand clusters Cluster 1. 11 ligand types 24 ligands Cluster 2. 2 ligand types 3 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 4 ligand types 9 ligands Cluster 6. 2 ligand types 4 ligands
Representative protein: 6i44A

Structures

PDB		Schematic diagram
6i44A
6o1gA
6esoA
5f8zA
4zj4A
		more ...

Cluster 1 contains 11 ligand types

Use checkboxes to select ligands to display in RasMol, Jmol, or download as an SDF file. Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: MRZ × 6 Piperidine-1-Carboximidamide PDB codes: 4zj4(A), 4zj5(A), 4zj6(A), 5f8t(A), 5f8x(A), 5f8z(A).
		2. Ligand: 7SD × 4 N-[(6-Amino-2,4-Dimethylpyridin-3-Yl)methyl]-1-({4- [(1h-Pyrazol-1-Yl)methyl]phenyl}methyl)-1h- Pyrazole-4- Carboxamide PDB codes: 5tz9(E), 6eso(A), 6o1g(A), 6o1s(E).
		3. Ligand: BAM × 3 Benzamidine PDB codes: 2anw(A), 2any(A), 6i44(A).
		4. Ligand: CYS-PRO-ALA-ARG-PHE-ALA-ALA-LEU-PHE-CYS × 2 PDB codes: 4zj4(A), 5f8z(A).
		5. Ligand: CYS-PRO-ALA-ARG-PHE-ALA-ALA-LEU-TRP-CYS × 2 PDB codes: 4zj6(A), 5f8x(A).
		6. Ligand: CYS-PRO-LYS-ARG-PHE-ALA-ALA-LEU-PHE-CYS × 2 PDB codes: 4zj5(A), 5f8t(A).
		7. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4ogy(A).
		8. Ligand: GBT × 1 (8e)-3-Amino-1-Methyl-15-[(1h-Pyrazol-1-Yl)methyl]-7, 10,11,12,24,25-Hexahydro-6h,18h,23h-19,22- (Metheno) pyrido[4,3-J][1,9,13,17, 18]benzodioxatriazacyclohenicosin-23-One PDB code: 5tjx(A).
		9. Ligand: MU8 × 1 (2~{s},4~{r})-1-[[(3~{s})-3-Azanyl-2,3-Dihydro-1- Benzofuran-6-Yl]carbonyl]-~{N}-(3-Chlorophenyl)- 4- Phenyl-Pyrrolidine-2-Carboxamide PDB code: 6t7p(A).
		10. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6i44(A).
		11. Ligand: PO4 × 1 Phosphate ion PDB code: 5tjx(A).

Cluster 2 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: NAG × 2 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB codes: 6eso(A), 6o1g(A).
		2. Ligand: NAG-NAG × 1 NAG=N-Acetyl-D-Glucosamine. PDB code: 6i44(A).

Cluster 3 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: PE4 × 1 2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}- Ethoxy)-Ethoxy]-Ethoxy}-Ethanol PDB code: 6i44(A).

Cluster 4 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GSH × 1 glutathione Glutathione PDB code: 6t7p(A).

Cluster 5 contains 4 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6t7p(A).
		2. Ligand: SO4 × 6 Sulfate ion PDB codes: 4zj4(A), 4zj5(A), 4zj6(A), 5f8t(A), 5f8x(A), 5f8z(A).
		3. Ligand: ACT × 1 Acetate ion PDB code: 6i44(A).
		4. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4ogy(A).

Cluster 6 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: NAG × 2 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB codes: 6eso(A), 6o1g(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 4zj4(A), 5f8z(A).