Ligand clusters for UniProt code P9WFX9

Ligand clusters for P9WFX9: Tryptophan synthase beta chain from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

		Top 6 (of 20) ligand clusters Cluster 1. 6 ligand types 11 ligands Cluster 2. 3 ligand types 11 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 2 ligand types 3 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 5tcfB

Structures

PDB		Schematic diagram
5tcfB
5tchB
5tciB
6e9pB
6uapB
		more ...

Cluster 1 contains 6 ligand types

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Ligand		Description
		1. Ligand: H9V × 4 (2r,3s,4r)-3-(4'-Chloro-2',6'-Difluoro[1,1'-Biphenyl]- 4-Yl)-4-(Fluoromethyl)azetidine-2- Carbonitrile PDB codes: 6du1(B), 6dua(B), 6uap(B), 6ub9(B).
		2. Ligand: 79V × 2 (2r,3s,4r)-3-(2'-Fluoro[1,1'-Biphenyl]-4-Yl)-4- (Hydroxymethyl)azetidine-2-Carbonitrile PDB codes: 5tci(B), 5tcj(B).
		3. Ligand: HDJ × 2 (2r,3s,4r)-3-(2',6'-Difluoro-4'-Methyl[1,1'-Biphenyl]- 4-Yl)-4-(Fluoromethyl)azetidine-2- Carbonitrile PDB codes: 6dwe(B), 6e9p(B).
		4. Ligand: ACT × 1 Acetate ion PDB code: 6dwe(B).
		5. Ligand: PZJ × 1 (3r,4r)-4-[4-(2-Chlorophenyl)piperazin-1-Yl]-1,1- Dioxothiolan-3-Ol PDB code: 6usa(B).
		6. Ligand: PZV × 1 1-(2-Fluorobenzene-1-Carbonyl)-N-Methyl-2,3-Dihydro-1h- Indole-5-Sulfonamide PDB code: 6u6c(B).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: P1T × 8 2-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy) methyl]pyridin-4-Yl}methyl)amino]acrylic acid PDB codes: 5ocw(B), 5tcg(B), 5tcj(B), 6dua(B), 6dwe(B), 6u6c(B), 6ub9(B), 6usa(B).
		2. Ligand: MLT × 2 D-Malate PDB codes: 6du1(B), 6uap(B).
		3. Ligand: MLI × 1 Malonate ion PDB code: 5tch(B).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 6u6c(B).
		2. Ligand: MLT × 1 D-Malate PDB code: 6e9p(B).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 6u6c(B).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: MLA × 2 Malonic acid PDB codes: 6du1(B), 6uap(B).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6u6c(B).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: ACT × 1 Acetate ion PDB code: 6e9p(B).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6u6c(B).