Ligand clusters for UniProt code P24735

Ligand clusters for P24735: Beta-lactamase from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)

		4 ligand clusters Cluster 1. 17 ligand types 23 ligands Cluster 2. 2 ligand types 4 ligands Cluster 3. 1 ligand type 2 ligands Cluster 4. 1 ligand type 1 ligand
Representative protein: 4gzbA

Structures

PDB		Schematic diagram
4gzbA
3s1yA
6uqsA
4nk3A
3s22A
		more ...

Cluster 1 contains 17 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4wyy(A),
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 4wyy(A).
		3. Ligand: IPA × 1 isopropyl alcohol Isopropyl alcohol PDB code: 3s1y(A).
_Cl		4. Metal: _CL × 3 PDB codes: 2wzx(A), 3s1y(A), 3s22(A).
		5. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 4gzb(A), 6ur3(A).
		6. Ligand: NXL × 2 (2s,5r)-1-Formyl-5-[(Sulfooxy)amino]piperidine-2- Carboxamide PDB codes: 4hef(A), 4ooy(A).
		7. Ligand: QFP × 2 2-Hydroxyethyl hydrogen phenylboronate PDB codes: 6uqs(A), 6ur3(A).
		8. Ligand: 3S2 × 1 [(2s,3r)-2-Formyl-1-{[4-(Methylamino) butyl]carbamoyl}pyrrolidin-3-Yl]sulfamic acid PDB code: 3s22(A).
		9. Ligand: 3VT × 1 [(3r)-1-Hydroxy-4,5-Dimethyl-6-(Pyrazin-2-Yloxy)-1,3- Dihydro-2,1-Benzoxaborol-3-Yl]acetic acid PDB code: 4wyy(A).
		10. Ligand: 3VU × 1 {(3r)-6-[(3-Amino-1,2,4-Thiadiazol-5-Yl)oxy]-1-Hydroxy- 4,5-Dimethyl-1,3-Dihydro-2,1-Benzoxaborol- 3-Yl}acetic acid PDB code: 4wz4(A).
		11. Ligand: MK7 × 1 (2s,5r)-1-Formyl-N-(Piperidin-4-Yl)-5-[(Sulfooxy) amino]piperidine-2-Carboxamide PDB code: 4nk3(A).
		12. Ligand: OP0 × 1 (2s,5r)-N-(2-Aminoethoxy)-1-Formyl-5-[(Sulfooxy) amino]piperidine-2-Carboxamide PDB code: 4x68(A).
		13. Ligand: PBC × 1 Phenyl boronic acid PDB code: 6uqu(A).
		14. Ligand: QFS × 1 2-Hydroxyethyl hydrogen (3-Methoxyphenyl)boronate PDB code: 6uqt(A).
		15. Ligand: S1Y × 1 [(2s,3r)-1-{[(4s)-1-(2-Aminoethyl)azepan-4- Yl]carbamoyl}-2-Formylpyrrolidin-3-Yl]sulfamic acid PDB code: 3s1y(A).
		16. Ligand: ZX0 × 1 (3r)-1-[(4s)-Azepan-4-Ylcarbamoyl]-3- (Sulfoamino)-L-Proline PDB code: 2wzx(A).
		17. Ligand: ZX1 × 1 (3r)-1-[(4r)-Azepan-4-Ylcarbamoyl]-3- (Sulfoamino)-L-Proline PDB code: 2wzz(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 4hef(A), 4wyy(A), 4wz4(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6ur3(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4hef(A), 4wyy(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: IPA × 1 isopropyl alcohol Isopropyl alcohol PDB code: 3s1y(A).