Ligand clusters for UniProt code P00808

Ligand clusters for P00808: Beta-lactamase OS=Bacillus licheniformis OX=1402 GN=penP PE=1 SV=1

		Top 6 (of 9) ligand clusters Cluster 1. 18 ligand types 28 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 5zflA

Structures

PDB		Schematic diagram
5zflA
1mblA
4blmA
3soiA
3sh8A
		more ...

Cluster 1 contains 18 ligand types

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Ligand		Description
		1. Ligand: CIT × 2 citric acid Citric acid PDB codes: 1i2s(A), 3soi(A).
		2. Ligand: 1QL × 1 cefoxitin (2r)-5-[(Carbamoyloxy)methyl]-2-{(1s)-1-Methoxy-2-Oxo- 1-[(Thiophen-2-Ylacetyl)amino]ethyl}-3,6- Dihydro-2h-1, 3-Thiazine-4-Carboxylic acid PDB code: 1i2w(A).
		3. Ligand: ACY × 1 acetic acid Acetic acid PDB code: 5ghx(A).
		4. Ligand: A33 × 1 2-(Carboxymethyl)-D-Aspartic acid PDB code: 3b3x(A).
		5. Ligand: ICT × 1 Isocitric acid PDB code: 1w7f(A).
		6. Ligand: SO4 × 2 Sulfate ion PDB codes: 1mbl(A), 4blm(A).
		7. Ligand: CED × 6 5-Methyl-2-[2-Oxo-1-(2-Thiophen-2-Yl-Acetylamino)- Ethyl]-3,6-Dihydro-2h-[1,3]thiazine-4- Carboxylic acid PDB codes: 3sh8(A), 4n9k(B), 5ghy(B), 5ghz(B), 5zft(A), 5zg6(B).
		8. Ligand: SO4 × 1 Sulfate ion PDB code: 3m2j(A).
		9. Ligand: BB0 × 2 1-[6-(Dimethylamino)naphthalen-2-Yl]ethanone PDB codes: 3sh7(A), 3sh9(A).
		10. Ligand: CEF × 2 Cefotaxime, C3' Cleaved, Open, Bound form PDB codes: 3m2k(A), 3sh9(A).
		11. Ligand: EPE × 2 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB codes: 5zfl(A),
		12. Ligand: 98J × 1 5-Hydroxy-3-Oxopentanoic acid PDB code: 2y91(A).
		13. Ligand: BIY × 1 (3s)-2,2-Dimethyl-3,4-Dihydro-2h-1,4- Thiazine-3,6-Dicarboxylic acid PDB code: 2wk0(A).
		14. Ligand: DWZ × 1 (2s,3r,4s)-4-{[(3s,5s)-5-(Dimethylcarbamoyl)pyrrolidin- 3-Yl]sulfanyl}-2-[(1s,2r)-1-Formyl-2- Hydroxypropyl]-3- Methyl-3,4-Dihydro-2h-Pyrrole-5-Carboxylic acid PDB code: 4n9l(B).
		15. Ligand: F5M × 1 5-(2,5-Dioxo-2,5-Dihydro-1h-Pyrrol-1-Yl)-2-(6-Hydroxy- 3-Oxo-3h-Xanthen-9-Yl)benzoic acid PDB code: 3m2j(A).
		16. Ligand: PNM × 1 Open form - Penicillin g PDB code: 3ly4(A).
_Cl		17. Metal: _CL × 1 PDB code: 2wk0(A).
_Na		18. Metal: _NA × 1 PDB code: 1i2s(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: CIT × 1 citric acid Citric acid PDB code: 2y91(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: PGE × 1 Triethylene glycol PDB code: 2y91(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 2wk0(A).

Cluster 5 contains 1 ligand type

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

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: ACT × 1 Acetate ion PDB code: 5lwf(A).