Ligand clusters for UniProt code Q9HW02

Ligand clusters for Q9HW02: UDP-N-acetylmuramate--L-alanine ligase from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)

		Top 6 (of 8) ligand clusters Cluster 1. 3 ligand types 4 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 2 ligands Cluster 4. 1 ligand type 2 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 5vvwA

Structures

PDB		Schematic diagram
5vvwA
6x9nA
6x9fA

Cluster 1 contains 3 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6x9f(A), 6x9n(A).
		2. Ligand: UXP × 1 [(2r)-1-{4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]-2h- Pyrazolo[3,4-D]pyrimidin-6-Yl}piperidin-2- Yl]methanol PDB code: 6x9f(A).
		3. Ligand: UYD × 1 (2r)-2-({4-[(5-Tert-Butyl-1-Methyl-1h-Pyrazol-3-Yl) amino]-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl}amino)- 2- Phenylethan-1-Ol PDB code: 6x9n(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5vvw(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6x9f(A), 6x9n(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6x9f(A), 6x9n(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6x9f(A), 6x9n(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6x9f(A), 6x9n(A).