Ligand clusters for UniProt code P00178

Ligand clusters for P00178: Cytochrome P450 2B4 OS=Oryctolagus cuniculus OX=9986 GN=CYP2B4 PE=1 SV=1

		Top 6 (of 18) ligand clusters Cluster 1. 19 ligand types 56 ligands Cluster 2. 5 ligand types 16 ligands Cluster 3. 3 ligand types 4 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 2 ligands
Representative protein: 3kw4A

Structures

PDB		Schematic diagram
3kw4A
4h1nA
5em4A
3r1aA
3uasA
		more ...

Cluster 1 contains 19 ligand types

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Ligand		Description
		1. Ligand: 06X × 2 amlodipine Amlodipine PDB codes: 3tmz(A),
		2. Ligand: CGE × 2 clopidogrel Clopidogrel PDB codes: 3me6(A), 4h1n(A).
		3. Ligand: 8PR × 1 paroxetine Paroxetine PDB code: 4jlt(A).
		4. Ligand: TIC × 1 ticlopidine Ticlopidine PDB code: 3kw4(A).
		5. Ligand: TMI × 1 bifonazole 1-[Phenyl-(4-Phenylphenyl)-Methyl]imidazole PDB code: 2bdm(A).
		6. Ligand: HEM × 2 Protoporphyrin IX containing fe PDB codes: 1po5(A), 2q6n(A).
		7. Ligand: 1CI × 1 1-(4-Chlorophenyl)-1h-Imidazole PDB code: 2q6n(A).
		8. Ligand: CM5 × 3 5-Cyclohexyl-1-Pentyl-Beta-D-Maltoside PDB codes: 2bdm(A),
		9. Ligand: HEM × 13 Protoporphyrin IX containing fe PDB codes: 3g93(A), 3kw4(A), 3me6(A), 3mvr(A), 3r1a(A), 3r1b(A), 3tmz(A), 3uas(A), 4h1n(A), 4jlt(A), 5em4(A), 5iuz(A), 6bww(A).
		10. Ligand: CM5 × 10 5-Cyclohexyl-1-Pentyl-Beta-D-Maltoside PDB codes: 3g5n(A), 3kw4(A), 3mvr(A), 3r1b(A), 4h1n(A), 4jlt(A), 5em4(A), 5iuz(A), 6bww(A).
		11. Ligand: PB2 × 5 1-(Biphenyl-4-Ylmethyl)-1h-Imidazole PDB codes: 3g5n(A), 3g93(A).
		12. Ligand: HEM-CPZ × 3 HEM=Protoporphyrin IX containing fe, CPZ=4-(4-Chlorophenyl)imidazole. PDB codes: 1suo(A), 3tk3(A), 4mgj(A).
		13. Ligand: HEM-PB2 × 3 HEM=Protoporphyrin IX containing fe, PB2=1-(Biphenyl-4-Ylmethyl)-1h-Imidazole. PDB codes: 3g5n(A), 3g93(A).
		14. Ligand: TB2 × 3 (4-Tert-Butylphenyl)acetaldehyde PDB codes: 3r1a(A), 3r1b(A),
		15. Ligand: ACT × 2 Acetate ion PDB codes: 6bww(A),
		16. Ligand: 0BV × 1 Phenanthren-9-Ylacetaldehyde PDB code: 3uas(A).
		17. Ligand: CH0 × 1 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha, 17alpha)-3,12-Bis{2-[(4-O-Alpha-D-Glucopyranosyl- Beta- D-Glucopyranosyl)oxy]ethoxy}cholan-7-Yl]oxy}ethyl 4-O- Alpha-D-Glucopyranosyl-Beta-D- Glucopyranoside PDB code: 3kw4(A).
		18. Ligand: HEM-32M × 1 HEM=Protoporphyrin IX containing fe, 32M=3,6,9,12,15,18-Hexaoxahexacosan-1-Ol. PDB code: 5iut(A).
		19. Ligand: HEM-TMI × 1 HEM=Protoporphyrin IX containing fe, TMI=1-[Phenyl-(4-Phenylphenyl)-Methyl]imidazole. PDB code: 2bdm(A).

Cluster 2 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 6bww(A),
		2. Ligand: TMI × 1 bifonazole 1-[Phenyl-(4-Phenylphenyl)-Methyl]imidazole PDB code: 2bdm(A).
		3. Ligand: CM5 × 10 5-Cyclohexyl-1-Pentyl-Beta-D-Maltoside PDB codes: 2bdm(A), 3kw4(A), 3mvr(A), 3tmz(A), 3uas(A), 4h1n(A), 4jlt(A), 5em4(A), 5iuz(A), 6bww(A).
		4. Ligand: ACT × 2 Acetate ion PDB codes: 6bww(A),
		5. Ligand: PO4 × 1 Phosphate ion PDB code: 4jlt(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 6bww(A),
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 4jlt(A).
		3. Ligand: SUC × 1 Sucrose PDB code: 3r1b(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: CM5 × 1 5-Cyclohexyl-1-Pentyl-Beta-D-Maltoside PDB code: 3r1b(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: CM5 × 1 5-Cyclohexyl-1-Pentyl-Beta-D-Maltoside PDB code: 3r1b(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: CM5 × 2 5-Cyclohexyl-1-Pentyl-Beta-D-Maltoside PDB codes: 4h1n(A), 4jlt(A).