Ligand clusters for UniProt code Q7SIC2

Ligand clusters for Q7SIC2: Quercetin 2,3-dioxygenase from Aspergillus japonicus

		Top 6 (of 16) ligand clusters Cluster 1. 5 ligand types 5 ligands Cluster 2. 4 ligand types 5 ligands Cluster 3. 5 ligand types 6 ligands Cluster 4. 1 ligand type 5 ligands Cluster 5. 1 ligand type 5 ligands Cluster 6. 1 ligand type 5 ligands
Representative protein: 1h1iA

Structures

PDB		Schematic diagram
1h1iA
1gqhA
1h1mA
1juhA
1gqgA

Cluster 1 contains 5 ligand types

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Ligand		Description
		1. Ligand: NAG-NAG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 1h1i(A).
		2. Ligand: NAG-NAG-BMA × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose. PDB code: 1gqg(A).
		3. Ligand: NAG-NAG-BMA-MAN-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 1h1m(A).
		4. Ligand: NAG-NAG-BMA-MAN-MAN-MAN-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 1juh(A).
		5. Ligand: NAG-NAG-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 1gqh(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: NAG-NAG-BMA-MAN × 2 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB codes: 1h1m(A), 1juh(A).
		2. Ligand: NAG-NAG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 1h1i(A).
		3. Ligand: NAG-NAG-BMA × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose. PDB code: 1gqg(A).
		4. Ligand: NAG-NAG-MAN-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 1gqh(A).

Cluster 3 contains 5 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 1juh(A),
		2. Ligand: DCD × 1 Diethylcarbamodithioic acid PDB code: 1gqg(A).
		3. Ligand: KMP × 1 3,5,7-Trihydroxy-2-(4-Hydroxyphenyl)-4h-Chromen-4-One PDB code: 1h1m(A).
		4. Ligand: KOJ × 1 5-Hydroxy-2-(Hydroxymethyl)-4h-Pyran-4-One PDB code: 1gqh(A).
		5. Ligand: QUE × 1 3,5,7,3',4'-Pentahydroxyflavone PDB code: 1h1i(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG × 5 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1gqg(A), 1gqh(A), 1h1i(A), 1h1m(A), 1juh(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG × 5 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1gqg(A), 1gqh(A), 1h1i(A), 1h1m(A), 1juh(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG × 5 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1gqg(A), 1gqh(A), 1h1i(A), 1h1m(A), 1juh(A).