Ligand clusters for UniProt code Q47066

Ligand clusters for Q47066: Beta-lactamase Toho-1 from Escherichia coli

		Top 6 (of 15) ligand clusters Cluster 1. 14 ligand types 41 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 6 ligands Cluster 4. 1 ligand type 2 ligands Cluster 5. 1 ligand type 18 ligands Cluster 6. 1 ligand type 11 ligands
Representative protein: 1iyqA

Structures

PDB		Schematic diagram
1iyqA
4bd1A
6u58A
6c7aA
2xr0A
		more ...

Cluster 1 contains 14 ligand types

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Ligand		Description
		1. Ligand: AZR × 3 aztreonam Aztreonam PDB codes: 2zqc(A), 5g18(A), 5ksc(A).
		2. Ligand: PNN × 2 benzylpenicillin Penicillin g PDB codes: 5kmw(A),
		3. Ligand: CE3 × 1 cefotaxime (6r,7r)-3-(Acetyloxymethyl)-7-[[(2z)-2-(2-Amino-1,3- Thiazol-4-Yl)-2-Methoxyimino-Ethanoyl]amino]- 8-Oxo-5- Thia-1-Azabicyclo[4.2.0]oct-2-Ene-2-Carboxylic acid PDB code: 6c79(A).
		4. Ligand: PNM × 1 Open form - Penicillin g PDB code: 1iyq(A).
		5. Ligand: CEP × 1 Cephalothin group PDB code: 1iyp(A).
		6. Ligand: CEF × 1 Cefotaxime, C3' Cleaved, Open, Bound form PDB code: 1iyo(A).
		7. Ligand: SO4 × 23 Sulfate ion PDB codes: 1bza(A), 1iyp(A), 1iys(A), 1we4(A), 2xr0(A), 2zq7(A), 2zq8(A), 2zqa(A), 2zqc(A), 2zqd(A), 4bd0(A), 5g18(A), 6c79(A), 6c7a(A), 6u58(A).
		8. Ligand: BZB × 3 Benzo[b]thiophene-2-Boronic acid PDB codes: 4bd0(A), 4bd1(A), 4c3q(A).
		9. Ligand: CEF × 1 Cefotaxime, C3' Cleaved, Open, Bound form PDB code: 2zqa(A).
		10. Ligand: PNM × 1 Open form - Penicillin g PDB code: 5kmw(A).
		11. Ligand: CAZ × 1 Acylated ceftazidime PDB code: 2zqd(A).
		12. Ligand: CEO × 1 5-Methylene-2-[2-Oxo-1-(2-Thiophen-2-Yl-Acetylamino)- Ethyl]-5,6-Dihydro-2h-[1,3]thiazine-4- Carboxylic acid PDB code: 2zq9(A).
		13. Ligand: CLS × 1 Cephalothin PDB code: 2zq9(A).
		14. Ligand: OP0 × 1 (2s,5r)-N-(2-Aminoethoxy)-1-Formyl-5-[(Sulfooxy) amino]piperidine-2-Carboxamide PDB code: 4x69(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: SPA × 1 Thiopheneacetic acid PDB code: 2zq9(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 6 Sulfate ion PDB codes: 1bza(A), 1iyo(A), 1iyq(A), 4bd0(A), 5kmw(A), 6c7a(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 1iyo(A), 1iyq(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 18 Sulfate ion PDB codes: 1iyo(A), 1iyp(A), 1iyq(A), 1iys(A), 1we4(A), 2xr0(A), 2zq7(A), 2zq8(A), 2zq9(A), 2zqa(A), 2zqc(A), 2zqd(A), 4bd0(A), 5g18(A), 5kmw(A), 6c79(A), 6c7a(A), 6u58(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 11 Sulfate ion PDB codes: 1iys(A), 1we4(A), 2xr0(A), 2zq7(A), 2zq8(A), 2zq9(A), 2zqa(A), 2zqc(A), 2zqd(A), 4bd0(A), 5g18(A).