Ligand clusters for UniProt code P9WQN9

Ligand clusters for P9WQN9: Diacylglycerol acyltransferase/mycolyltransferase Ag85C from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

		Top 6 (of 12) ligand clusters Cluster 1. 4 ligand types 7 ligands Cluster 2. 3 ligand types 3 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 3 ligand types 4 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 1dqyA

Structures

PDB		Schematic diagram
1dqyA
4qekA
4mqlA
1va5A
4qdxA
		more ...

Cluster 1 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 3hrh(A),
		2. Ligand: 9SW × 2 Methoxy-[(3~{r})-3-[(2~{r})-1-Methoxy-1,3- Bis(oxidanylidene)butan-2-Yl]pentadecyl]phosphinic acid PDB codes: 5ocj(A),
		3. Ligand: DEP × 1 Diethyl phosphonate PDB code: 1dqy(A).
		4. Ligand: SOG × 1 Octyl 1-Thio-Beta-D-Glucopyranoside PDB code: 1va5(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: 6Y1 × 1 ~{N}-(1-Adamantyl)-2-Selanyl-Benzamide PDB code: 5kwi(A).
		2. Ligand: 6Y3 × 1 ~{N}-(4-Aminophenyl)-2-Selanyl-Benzamide PDB code: 5kwj(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 4qek(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3hrh(A).
		2. Ligand: 1N7 × 1 Chapso PDB code: 4qe3(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: ACY × 1 acetic acid Acetic acid PDB code: 4qe3(A).
		2. Ligand: ACT × 2 Acetate ion PDB codes: 4qdo(A), 4qdz(A).
		3. Ligand: P6G × 1 Hexaethylene glycol PDB code: 4qdz(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SOG × 1 Octyl 1-Thio-Beta-D-Glucopyranoside PDB code: 1va5(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SOG × 1 Octyl 1-Thio-Beta-D-Glucopyranoside PDB code: 1va5(A).