Ligand clusters for UniProt code P9WPP9

Ligand clusters for P9WPP9: Lanosterol 14-alpha demethylase from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

		Top 6 (of 11) ligand clusters Cluster 1. 10 ligand types 14 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 1e9xA

Structures

PDB		Schematic diagram
1e9xA
2w0bA
1u13A
1x8vA
1h5zA
		more ...

Cluster 1 contains 10 ligand types

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Ligand		Description
		1. Ligand: ESL × 1 estriol Estriol PDB code: 1x8v(A).
		2. Ligand: HEM × 5 Protoporphyrin IX containing fe PDB codes: 1h5z(A), 1u13(A), 1x8v(A), 2bz9(A), 2vku(A).
		3. Ligand: DBE × 1 Bis(4-Hydroxyphenyl)methanone PDB code: 2vku(A).
		4. Ligand: HEM-1CM × 1 1CM=(2r)-2-Phenyl-N-Pyridin-4-Ylbutanamide, HEM=Protoporphyrin IX containing fe. PDB code: 2ci0(A).
		5. Ligand: HEM-CII × 1 HEM=Protoporphyrin IX containing fe, CII=N-[(1s)-2-Methyl-1-(Pyridin-4-Ylcarbamoyl) propyl]cyclohexanecarboxamide. PDB code: 2w0a(A).
		6. Ligand: HEM-CM6 × 1 HEM=Protoporphyrin IX containing fe, CM6=(2s)-2-[(2,1,3-Benzothiadiazol-4-Ylsulfonyl)amino]-2- Phenyl-N-Pyridin-4-Ylacetamide. PDB code: 2cib(A).
		7. Ligand: HEM-CM9 × 1 HEM=Protoporphyrin IX containing fe, CM9=Cis-4-Methyl-N-[(1s)-3-(Methylsulfanyl)-1-(Pyridin-4- Ylcarbamoyl)propyl]cyclohexanecarboxamide. PDB code: 2w09(A).
		8. Ligand: HEM-CMW × 1 HEM=Protoporphyrin IX containing fe, CMW=3-{[(4-Methylphenyl)sulfonyl]amino}propyl pyridin-4- Ylcarbamate. PDB code: 2w0b(A).
		9. Ligand: HEM-PIM × 1 HEM=Protoporphyrin IX containing fe, PIM=4-Phenyl-1h-Imidazole. PDB code: 1e9x(A).
		10. Ligand: HEM-TPF × 1 HEM=Protoporphyrin IX containing fe, TPF=2-(2,4-Difluorophenyl)-1,3-Di(1h-1,2,4-Triazol-1-Yl) propan-2-Ol. PDB code: 1ea1(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: ESL × 1 estriol Estriol PDB code: 1x8v(A).
		2. Ligand: DBE × 1 Bis(4-Hydroxyphenyl)methanone PDB code: 2vku(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: DBE × 1 Bis(4-Hydroxyphenyl)methanone PDB code: 2vku(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: DBE × 1 Bis(4-Hydroxyphenyl)methanone PDB code: 2vku(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 2vku(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 2vku(A).