Ligand clusters for UniProt code Q09HD0

Ligand clusters for Q09HD0: Beta-lactamase from Klebsiella pneumoniae

		Top 6 (of 13) ligand clusters Cluster 1. 4 ligand types 5 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 1 ligand type 2 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 2 ligands
Representative protein: 6ts9A

Structures

PDB		Schematic diagram
6ts9A
4h8rA
6q35A

Cluster 1 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6q35(A), 6ts9(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6q35(A).
		3. Ligand: HD5 × 1 [5-(Aminomethyl)-1-Benzothiophen-2-Yl]boronic acid PDB code: 6q35(A).
		4. Ligand: IM2 × 1 (5r)-5-[(1s,2r)-1-Formyl-2-Hydroxypropyl]-3-[(2-{[(E)- Iminomethyl]amino}ethyl)sulfanyl]-4,5- Dihydro-1h- Pyrrole-2-Carboxylic acid PDB code: 4h8r(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6q35(A).
Iod		2. Metal: IOD × 1 PDB code: 4h8r(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6q35(A),

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6q35(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6q35(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6q35(A),